 Entering Gaussian System, Link 0=g16
 Input=35_ZrEnThind2Cl2_STD_M11-augccpVDZr.in
 Output=35_ZrEnThind2Cl2_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/35_ZrEnThind2Cl2_STD/Gau-1952.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/35_ZrEnThind2Cl2_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      1953.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=35_ZrEnThind2Cl2_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 21:34:43 2021, MaxMem= 10737418240 cpu:               3.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "35_ZrEnThind2Cl2_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.918209000000      1.527121000000     -0.682574000000
  C                                                 2.052734000000      0.968458000000      0.412061000000
  C                                                 2.364189000000     -0.241441000000      1.088305000000
  C                                                 3.577190000000     -1.064866000000      0.781263000000
  C                                                 4.282075000000     -0.590418000000     -0.495594000000
  C                                                 4.329790000000      0.935431000000     -0.589615000000
  C                                                 1.425242000000     -0.413216000000      2.122923000000
  C                                                 0.552885000000      0.704830000000      2.114383000000
  C                                                 0.945006000000      1.572201000000      1.068423000000
  C                                                 0.305502000000      2.879578000000      0.707900000000
  C                                                -0.228659000000      2.866811000000     -0.734154000000
  C                                                -0.880051000000      1.559894000000     -1.081878000000
  C                                                -2.024720000000      0.983630000000     -0.466414000000
  C                                                -2.339028000000     -0.221680000000     -1.155258000000
  C                                                -1.360182000000     -0.422752000000     -2.143889000000
  C                                                -0.461006000000      0.671681000000     -2.101673000000
  C                                                -2.923964000000      1.573874000000      0.582126000000
  C                                                -3.996477000000      0.575127000000      1.033762000000
  C                                                -4.616608000000     -0.165400000000     -0.152513000000
  C                                                -3.574096000000     -1.023204000000     -0.880509000000
  Zr                                               -0.005023000000     -0.523739000000      0.027195000000
  Cl                                                1.213296000000     -2.195185000000     -1.256229000000
  Cl                                               -1.343389000000     -1.980750000000      1.446553000000
  H                                                -0.277937000000      0.863268000000      2.783840000000
  H                                                 1.369460000000     -1.251612000000      2.797258000000
  H                                                 2.504590000000      1.300958000000     -1.669618000000
  H                                                 2.954314000000      2.616832000000     -0.606795000000
  H                                                 4.913581000000      1.242678000000     -1.459626000000
  H                                                 4.833706000000      1.343637000000      0.292621000000
  H                                                 3.751294000000     -0.985239000000     -1.363847000000
  H                                                 5.292611000000     -1.002096000000     -0.525206000000
  H                                                 4.261950000000     -0.975336000000      1.631792000000
  H                                                 3.315779000000     -2.120544000000      0.697471000000
  H                                                 1.021760000000      3.697458000000      0.830692000000
  H                                                -0.506727000000      3.076990000000      1.407133000000
  H                                                 0.592017000000      3.037050000000     -1.431518000000
  H                                                -0.933558000000      3.690636000000     -0.878353000000
  H                                                 0.395438000000      0.811580000000     -2.742403000000
  H                                                -1.295578000000     -1.267115000000     -2.809824000000
  H                                                -3.406189000000      2.463482000000      0.158864000000
  H                                                -2.357455000000      1.923597000000      1.446719000000
  H                                                -4.768108000000      1.104982000000      1.595817000000
  H                                                -3.546694000000     -0.153881000000      1.710871000000
  H                                                -5.437416000000     -0.798932000000      0.188491000000
  H                                                -5.045634000000      0.562275000000     -0.849812000000
  H                                                -3.330020000000     -1.893359000000     -0.267538000000
  H                                                -3.976897000000     -1.400798000000     -1.822775000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     47 NQM=       47 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          90          35          35           1           1           1           1           1           1           1
 AtmWgt=  89.9043000  34.9688527  34.9688527   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           3           3           1           1           1           1           1           1           1
 AtZEff= 192.0000000  14.2400000  14.2400000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000  -8.1650000  -8.1650000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.8218740   0.8218740   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=  40.0000000  17.0000000  17.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul  8 21:34:44 2021, MaxMem= 10737418240 cpu:               2.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.503122   0.000000
     3  C    2.563350   1.420622   0.000000
     4  C    3.048848   2.568011   1.497890   0.000000
     5  C    2.525681   2.867733   2.511734   1.533730   0.000000
     6  C    1.533395   2.487856   2.839724   2.539075   1.529487
     7  C    3.723529   2.286880   1.407680   2.618316   3.879372
     8  C    3.754183   2.284064   2.286720   3.749060   4.732495
     9  C    2.638475   1.422103   2.302992   3.736974   4.273067
    10  C    3.254043   2.606285   3.758146   5.125228   5.413169
    11  C    3.420557   3.181557   4.439082   5.677945   5.688239
    12  C    3.819332   3.344081   4.298790   5.497968   5.622732
    13  C    4.977414   4.171041   4.814610   6.093803   6.500319
    14  C    5.560600   4.812535   5.210971   6.281935   6.664093
    15  C    4.923624   4.485124   4.934662   5.774640   5.880481
    16  C    3.763604   3.567327   4.357921   5.256800   5.164223
    17  C    5.977678   5.016271   5.613924   7.019089   7.600831
    18  C    7.187836   6.093782   6.413098   7.753307   8.498932
    19  C    7.740740   6.788557   7.090623   8.295740   8.915431
    20  C    6.978063   6.107264   6.304809   7.341942   7.877492
    21  Zr   3.640753   2.570824   2.611286   3.700498   4.319371
    22  Cl   4.134171   3.673756   3.261673   3.319185   3.545595
    23  Cl   5.916042   4.615371   4.110921   5.049114   6.111530
    24  H    4.761520   3.326925   3.328070   4.752896   5.801862
    25  H    4.714786   3.329375   2.220462   2.995527   4.445602
    26  H    1.093840   2.155949   3.163044   3.571332   2.848699
    27  H    1.092939   2.137300   3.375105   3.983664   3.473006
    28  H    2.160145   3.429702   3.897943   3.483143   2.165271
    29  H    2.157267   2.808706   3.040411   2.760161   2.160127
    30  H    2.733151   3.139409   2.913820   2.153636   1.091547
    31  H    3.472677   3.906194   3.428946   2.157190   1.091576
    32  H    3.663908   3.185391   2.106057   1.095587   2.162022
    33  H    3.920210   3.349429   2.142266   1.090785   2.167583
    34  H    3.255281   2.947134   4.169341   5.404849   5.547483
    35  H    4.301065   3.462213   4.399522   5.850219   6.324783
    36  H    2.872625   3.132339   4.498734   5.534742   5.258422
    37  H    4.422130   4.241858   5.495826   6.761359   6.758458
    38  H    3.334557   3.566775   4.433865   5.104980   4.703158
    39  H    5.485339   5.156503   5.444383   6.056458   6.076495
    40  H    6.448473   5.665602   6.440321   7.848834   8.298435
    41  H    5.702956   4.629533   5.206705   6.677855   7.360449
    42  H    8.027997   6.924146   7.275994   8.661163   9.442150
    43  H    7.095725   5.856633   5.944223   7.241808   8.145470
    44  H    8.716980   7.699091   7.873087   9.037988   9.745766
    45  H    8.023820   7.221090   7.701151   8.925306   9.405335
    46  H    7.135286   6.133995   6.082036   7.035335   7.726167
    47  H    7.577285   6.853052   7.073038   7.997380   8.404091
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.196798   0.000000
     8  C    4.650784   1.418135   0.000000
     9  C    3.822477   2.298799   1.414257   0.000000
    10  C    4.653831   3.754810   2.601715   1.499392   0.000000
    11  C    4.952835   4.653693   3.660483   2.510535   1.537859
    12  C    5.270173   4.413421   3.605624   2.820422   2.520001
    13  C    6.355887   4.534102   3.658181   3.394321   3.225456
    14  C    6.792054   4.995286   4.462301   4.352889   4.481372
    15  C    6.052785   5.095524   4.802515   4.428620   4.670395
    16  C    5.030667   4.752067   4.336381   3.582920   3.654592
    17  C    7.375468   5.023761   3.897631   3.899412   3.485704
    18  C    8.490695   5.617662   4.677741   5.041192   4.891186
    19  C    9.024463   6.460880   5.711372   5.953276   5.851442
    20  C    8.148146   5.863964   5.384000   5.563879   5.727655
    21  Zr   4.615218   2.539675   2.485356   2.525802   3.484588
    22  Cl   4.467400   3.826095   4.495248   4.434995   5.516803
    23  Cl   6.695898   3.252685   3.354727   4.243017   5.185291
    24  H    5.711090   2.228686   1.078675   2.222798   2.952191
    25  H    5.001762   1.077380   2.227280   3.338106   4.750174
    26  H    2.152062   4.299622   4.299207   3.162711   3.602863
    27  H    2.172404   4.355527   4.102124   2.816900   2.968781
    28  H    1.091848   5.267367   5.663788   4.716906   5.349019
    29  H    1.094945   4.249019   4.695990   3.971914   4.799604
    30  H    2.150132   4.230283   5.018390   4.509067   5.576955
    31  H    2.164529   4.723972   5.687357   5.297955   6.438882
    32  H    2.930918   2.933275   4.100368   4.220124   5.600662
    33  H    3.467534   2.919077   4.198090   4.403923   5.836360
    34  H    4.537524   4.327852   3.289913   2.139889   1.094089
    35  H    5.653775   4.052949   2.692605   2.118170   1.089777
    36  H    4.369960   5.023211   4.244313   2.918919   2.164255
    37  H    5.947887   5.604748   4.481185   3.436089   2.170088
    38  H    4.486531   5.121720   4.860510   3.924661   4.023592
    39  H    6.436249   5.697719   5.617223   5.303087   5.668589
    40  H    7.920892   5.956143   4.753018   4.533716   3.775080
    41  H    7.059913   4.497415   3.225096   3.342579   2.924225
    42  H    9.358237   6.398465   5.361156   5.756397   5.447853
    43  H    8.277550   4.995717   4.207939   4.854634   5.004722
    44  H    9.950466   7.140510   6.469472   6.865265   6.839761
    45  H    9.386454   7.187557   6.336418   6.370820   6.035811
    46  H    8.171810   5.524278   5.244148   5.663104   6.078604
    47  H    8.716633   6.762171   6.360331   6.436061   6.562383
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.501085   0.000000
    13  C    2.616083   1.421669   0.000000
    14  C    3.764275   2.303911   1.423400   0.000000
    15  C    3.753521   2.299843   2.287672   1.405689   0.000000
    16  C    2.596669   1.415805   2.283985   2.284899   1.417069
    17  C    3.266336   2.635656   1.502153   2.566061   3.723317
    18  C    4.751189   3.893303   2.511021   2.858994   4.247738
    19  C    5.365324   4.219267   2.852488   2.489184   3.825718
    20  C    5.132795   3.737756   2.568934   1.497772   2.618795
    21  Zr   3.482168   2.517388   2.568071   2.633821   2.561300
    22  Cl   5.289197   4.302687   4.605803   4.064963   3.248422
    23  Cl   5.431110   4.375363   3.593216   3.294699   3.913938
    24  H    4.048814   3.973865   3.691868   4.576210   5.206497
    25  H    5.655640   5.292689   5.212324   5.516886   5.705514
    26  H    3.285976   3.445037   4.697132   5.103296   4.258236
    27  H    3.195313   4.005643   5.241930   6.031371   5.496963
    28  H    5.441208   5.814593   7.013815   7.405223   6.527019
    29  H    5.385338   5.880734   6.909685   7.482960   6.886288
    30  H    5.574480   5.292123   6.167996   6.141543   5.201158
    31  H    6.745111   6.706373   7.582209   7.697268   6.871348
    32  H    6.365953   6.342836   6.911023   7.204759   6.794813
    33  H    6.283813   5.858045   6.285814   6.246209   5.728912
    34  H    2.168471   3.441510   4.281167   5.531594   5.612300
    35  H    2.169472   2.938729   3.193217   4.561184   5.058294
    36  H    1.090324   2.114526   3.463419   4.391659   4.035936
    37  H    1.093784   2.141109   2.947577   4.166322   4.324760
    38  H    2.940499   2.223553   3.326694   3.326253   2.228003
    39  H    4.747217   3.339227   3.330026   2.217952   1.077308
    40  H    3.325185   2.955890   2.118818   3.174247   4.221275
    41  H    3.190240   2.951068   2.157389   3.372364   4.403677
    42  H    5.398093   4.742782   3.434196   3.902419   5.285199
    43  H    5.109998   4.224625   2.889793   3.110908   4.439854
    44  H    6.435845   5.286537   3.905499   3.426206   4.712255
    45  H    5.341115   4.289660   3.074159   2.834360   4.028333
    46  H    5.700473   4.311665   3.165506   2.136498   3.092514
    47  H    5.783327   4.347997   3.366928   2.125679   2.811918
                   16         17         18         19         20
    16  C    0.000000
    17  C    3.752718   0.000000
    18  C    4.726503   1.533543   0.000000
    19  C    4.665722   2.535707   1.529768   0.000000
    20  C    3.749027   3.050703   2.529328   1.533831   0.000000
    21  Zr   2.483753   3.637052   4.260562   4.628976   3.716406
    22  Cl   3.425928   5.890864   6.329330   6.271044   4.943058
    23  Cl   4.517067   3.985073   3.706991   4.070193   3.362762
    24  H    4.892694   3.514821   4.119871   5.338951   5.277395
    25  H    5.572180   5.596755   5.936343   6.761214   6.165784
    26  H    3.062257   5.883369   7.078062   7.427198   6.555520
    27  H    4.205078   6.087319   7.427885   8.078740   7.479634
    28  H    5.442834   8.105896   9.276408   9.721920   8.803991
    29  H    5.849628   7.766484   8.894494   9.580385   8.813019
    30  H    4.586201   7.409112   8.259009   8.494778   7.341416
    31  H    6.196038   8.681815   9.550140   9.951461   8.873848
    32  H    6.241614   7.696599   8.423965   9.092224   8.229068
    33  H    5.467708   7.252339   7.800565   8.213880   7.152940
    34  H    4.466843   4.487776   5.913788   6.905039   6.806963
    35  H    4.254330   2.963618   4.310114   5.462299   5.608355
    36  H    2.674497   4.307873   5.761332   6.246704   5.843438
    37  H    3.291490   3.251983   4.769073   5.381516   5.403030
    38  H    1.078704   4.759413   5.796917   5.725611   4.752923
    39  H    2.226414   4.714678   5.045975   4.393668   2.995562
    40  H    4.122461   1.096856   2.163278   2.910857   3.642179
    41  H    4.213656   1.091219   2.162244   3.467740   3.947131
    42  H    5.693005   2.155991   1.091818   2.166444   3.476641
    43  H    4.973783   2.155689   1.091895   2.148732   2.733445
    44  H    5.672055   3.478879   2.163060   1.091500   2.159866
    45  H    4.753729   2.752319   2.156095   1.095354   2.163356
    46  H    4.263182   3.592842   2.868967   2.157402   1.092006
    47  H    4.090775   3.967479   3.473394   2.173756   1.092104
                   21         22         23         24         25
    21  Zr   0.000000
    22  Cl   2.434175   0.000000
    23  Cl   2.434888   3.726614   0.000000
    24  H    3.097961   5.282052   3.318428   0.000000
    25  H    3.176830   4.164790   3.116985   2.680823   0.000000
    26  H    3.536503   3.749846   5.940292   5.269470   5.268502
    27  H    4.361514   5.158335   6.619989   5.001884   5.391122
    28  H    5.433556   5.054936   7.614856   6.715863   6.074812
    29  H    5.193346   5.294296   7.109122   5.706647   5.000952
    30  H    4.032108   2.813714   5.902981   6.070831   4.801967
    31  H    5.347794   4.312617   6.991573   6.742431   5.147051
    32  H    4.581018   4.372984   5.697806   5.031725   3.130677
    33  H    3.745235   2.871054   4.721071   5.115747   2.992040
    34  H    4.417963   6.254212   6.181849   3.679216   5.336813
    35  H    3.888597   6.152057   5.126626   2.616913   4.918264
    36  H    3.894036   5.271906   6.099787   4.821970   6.072856
    37  H    4.409439   6.276517   6.143107   4.672848   6.575699
    38  H    3.100664   3.452280   5.326160   5.567357   5.991104
    39  H    3.204187   3.093448   4.316052   6.071507   6.208223
    40  H    4.528659   6.711580   5.066013   4.386017   6.600748
    41  H    3.679462   6.084452   4.033888   2.690090   5.078957
    42  H    5.272598   7.402869   4.612236   4.650963   6.683318
    43  H    3.938908   5.968929   2.874346   3.587566   5.153040
    44  H    5.441750   6.947569   4.443025   6.009906   7.303708
    45  H    5.230328   6.851494   5.044491   6.002080   7.598996
    46  H    3.608093   4.659434   2.625347   5.121046   5.647117
    47  H    4.468490   5.281111   4.237949   6.326863   7.067566
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.750248   0.000000
    28  H    2.418828   2.540541   0.000000
    29  H    3.045814   2.441739   1.756970   0.000000
    30  H    2.621920   3.766062   2.514697   3.056005   0.000000
    31  H    3.792993   4.309400   2.460857   2.526242   1.754782
    32  H    4.378257   4.429995   3.860191   2.738233   3.038868
    33  H    4.238846   4.926916   4.303173   3.803755   2.393245
    34  H    3.767432   2.639865   5.139822   4.512308   5.847564
    35  H    4.657115   4.030689   6.400215   5.724236   6.504674
    36  H    2.593963   2.537163   4.679367   4.881826   5.115117
    37  H    4.261165   4.042567   6.365486   6.335686   6.636818
    38  H    2.416378   3.790462   4.716458   5.403025   4.048548
    39  H    4.726134   6.164411   6.831965   7.349103   5.257492
    40  H    6.295404   6.408256   8.563203   8.316719   8.089616
    41  H    5.808504   5.736932   7.859927   7.306237   7.326488
    42  H    7.974560   8.171474  10.153314   9.692786   9.257907
    43  H    7.082535   7.437172   9.142138   8.630475   7.962768
    44  H    8.422444   9.095112  10.678371  10.492730   9.320775
    45  H    7.630440   8.263137  10.001039   9.975823   8.946786
    46  H    6.797953   7.742724   8.900155   8.799906   7.222990
    47  H    7.023718   8.103187   9.282265   9.467500   7.752950
                   31         32         33         34         35
    31  H    0.000000
    32  H    2.390736   0.000000
    33  H    2.579482   1.754906   0.000000
    34  H    6.493415   5.742438   6.255351   0.000000
    35  H    7.348823   6.261956   6.490727   1.747437   0.000000
    36  H    6.263520   6.241115   6.209046   2.395498   3.044137
    37  H    7.804590   7.420608   7.369525   2.596950   2.404619
    38  H    5.673419   6.105454   5.381308   4.635470   4.812965
    39  H    6.978105   7.120337   5.856114   6.578024   6.105429
    40  H    9.388680   8.532019   8.154032   4.645512   3.215812
    41  H    8.424469   7.228733   7.007284   3.865898   2.181072
    42  H   10.495551   9.266659   8.749873   6.389751   4.699339
    43  H    9.157119   7.852131   7.210290   6.039727   4.446592
    44  H   10.755655   9.807749   8.867026   7.896259   6.389018
    45  H   10.460972   9.754677   8.916548   7.033259   5.658557
    46  H    8.672399   7.879608   6.719338   7.169472   5.956499
    47  H    9.368374   8.943917   7.749374   7.617065   6.521117
                   36         37         38         39         40
    36  H    0.000000
    37  H    1.749441   0.000000
    38  H    2.590324   3.678298   0.000000
    39  H    4.897814   5.333004   2.680495   0.000000
    40  H    4.340961   2.948835   5.059496   5.213937   0.000000
    41  H    4.268889   3.248980   5.134564   5.424609   1.746393
    42  H    6.452022   5.245083   6.750440   6.090565   2.401079
    43  H    6.097998   5.320984   6.025294   5.171411   3.046154
    44  H    7.327568   6.448187   6.723546   5.134580   3.843190
    45  H    6.184335   5.166878   5.766222   4.609906   2.705512
    46  H    6.406727   6.107137   5.226920   3.315774   4.378320
    47  H    6.381422   6.006375   4.985744   2.860351   4.380098
                   41         42         43         44         45
    41  H    0.000000
    42  H    2.550217   0.000000
    43  H    2.408315   1.757790   0.000000
    44  H    4.299007   2.460372   2.511685   0.000000
    45  H    3.788609   2.520447   3.052343   1.756260   0.000000
    46  H    4.295778   3.811855   2.643262   2.418026   3.051641
    47  H    4.935969   4.311812   3.771807   2.557450   2.437727
                   46         47
    46  H    0.000000
    47  H    1.754944   0.000000
 Stoichiometry    C20H24Cl2Zr
 Framework group  C1[X(C20H24Cl2Zr)]
 Deg. of freedom   135
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.918209    1.527121   -0.682574
      2          6           0        2.052734    0.968458    0.412061
      3          6           0        2.364189   -0.241441    1.088305
      4          6           0        3.577190   -1.064866    0.781263
      5          6           0        4.282075   -0.590418   -0.495594
      6          6           0        4.329790    0.935431   -0.589615
      7          6           0        1.425242   -0.413216    2.122923
      8          6           0        0.552885    0.704830    2.114383
      9          6           0        0.945006    1.572201    1.068423
     10          6           0        0.305502    2.879578    0.707900
     11          6           0       -0.228659    2.866811   -0.734154
     12          6           0       -0.880051    1.559894   -1.081878
     13          6           0       -2.024720    0.983630   -0.466414
     14          6           0       -2.339028   -0.221680   -1.155258
     15          6           0       -1.360182   -0.422752   -2.143889
     16          6           0       -0.461006    0.671681   -2.101673
     17          6           0       -2.923964    1.573874    0.582126
     18          6           0       -3.996477    0.575127    1.033762
     19          6           0       -4.616608   -0.165400   -0.152513
     20          6           0       -3.574096   -1.023204   -0.880509
     21         40           0       -0.005023   -0.523739    0.027195
     22         17           0        1.213296   -2.195185   -1.256229
     23         17           0       -1.343389   -1.980750    1.446553
     24          1           0       -0.277937    0.863268    2.783840
     25          1           0        1.369460   -1.251612    2.797258
     26          1           0        2.504590    1.300958   -1.669618
     27          1           0        2.954314    2.616832   -0.606795
     28          1           0        4.913581    1.242678   -1.459626
     29          1           0        4.833706    1.343637    0.292621
     30          1           0        3.751294   -0.985239   -1.363847
     31          1           0        5.292611   -1.002096   -0.525206
     32          1           0        4.261950   -0.975336    1.631792
     33          1           0        3.315779   -2.120544    0.697471
     34          1           0        1.021760    3.697458    0.830692
     35          1           0       -0.506727    3.076990    1.407133
     36          1           0        0.592017    3.037050   -1.431518
     37          1           0       -0.933558    3.690636   -0.878353
     38          1           0        0.395438    0.811580   -2.742403
     39          1           0       -1.295578   -1.267115   -2.809824
     40          1           0       -3.406189    2.463482    0.158864
     41          1           0       -2.357455    1.923597    1.446719
     42          1           0       -4.768108    1.104982    1.595817
     43          1           0       -3.546694   -0.153881    1.710871
     44          1           0       -5.437416   -0.798932    0.188491
     45          1           0       -5.045634    0.562275   -0.849812
     46          1           0       -3.330020   -1.893359   -0.267538
     47          1           0       -3.976897   -1.400798   -1.822775
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.3766532           0.1923391           0.1731426
 Leave Link  202 at Thu Jul  8 21:34:44 2021, MaxMem= 10737418240 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37     38     39     40     41     42     43
 Centers:      44     45     46     47
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     13     14     15     16     17     18     19     20
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      22     23
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients=  2.4115300000D-04
     Exponent=  1.9170000000D+04 Coefficients=  1.8709500000D-03
     Exponent=  4.3630000000D+03 Coefficients=  9.7082700000D-03
     Exponent=  1.2360000000D+03 Coefficients=  3.9315300000D-02
     Exponent=  4.0360000000D+02 Coefficients=  1.2593200000D-01
     Exponent=  1.4570000000D+02 Coefficients=  2.9934100000D-01
     Exponent=  5.6810000000D+01 Coefficients=  4.2188600000D-01
     Exponent=  2.3230000000D+01 Coefficients=  2.3720100000D-01
     Exponent=  6.6440000000D+00 Coefficients=  1.9153100000D-02
     Exponent=  2.5750000000D+00 Coefficients= -3.3479200000D-03
     Exponent=  5.3710000000D-01 Coefficients=  9.2988300000D-04
     Exponent=  1.9380000000D-01 Coefficients= -3.9637900000D-04
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients= -6.7892200000D-05
     Exponent=  1.9170000000D+04 Coefficients= -5.2183600000D-04
     Exponent=  4.3630000000D+03 Coefficients= -2.7651300000D-03
     Exponent=  1.2360000000D+03 Coefficients= -1.1153700000D-02
     Exponent=  4.0360000000D+02 Coefficients= -3.8591900000D-02
     Exponent=  1.4570000000D+02 Coefficients= -9.9484800000D-02
     Exponent=  5.6810000000D+01 Coefficients= -2.0139200000D-01
     Exponent=  2.3230000000D+01 Coefficients= -1.3031300000D-01
     Exponent=  6.6440000000D+00 Coefficients=  5.0944300000D-01
     Exponent=  2.5750000000D+00 Coefficients=  6.1072500000D-01
     Exponent=  5.3710000000D-01 Coefficients=  4.2154900000D-02
     Exponent=  1.9380000000D-01 Coefficients= -9.2342700000D-03
 S 12 1.00
     Exponent=  1.2790000000D+05 Coefficients=  2.0498600000D-05
     Exponent=  1.9170000000D+04 Coefficients=  1.5829800000D-04
     Exponent=  4.3630000000D+03 Coefficients=  8.3363900000D-04
     Exponent=  1.2360000000D+03 Coefficients=  3.3988000000D-03
     Exponent=  4.0360000000D+02 Coefficients=  1.1673800000D-02
     Exponent=  1.4570000000D+02 Coefficients=  3.0962200000D-02
     Exponent=  5.6810000000D+01 Coefficients=  6.2953300000D-02
     Exponent=  2.3230000000D+01 Coefficients=  4.6025700000D-02
     Exponent=  6.6440000000D+00 Coefficients= -2.1931200000D-01
     Exponent=  2.5750000000D+00 Coefficients= -4.0877300000D-01
     Exponent=  5.3710000000D-01 Coefficients=  6.3846500000D-01
     Exponent=  1.9380000000D-01 Coefficients=  5.6236200000D-01
 S 1 1.00
     Exponent=  1.9380000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.0800000000D-02 Coefficients=  1.0000000000D+00
 P 8 1.00
     Exponent=  4.1760000000D+02 Coefficients=  5.2598200000D-03
     Exponent=  9.8330000000D+01 Coefficients=  3.9833200000D-02
     Exponent=  3.1040000000D+01 Coefficients=  1.6465500000D-01
     Exponent=  1.1190000000D+01 Coefficients=  3.8732200000D-01
     Exponent=  4.2490000000D+00 Coefficients=  4.5707200000D-01
     Exponent=  1.6240000000D+00 Coefficients=  1.5163600000D-01
     Exponent=  5.3220000000D-01 Coefficients=  1.8161500000D-03
     Exponent=  1.6200000000D-01 Coefficients=  1.8829600000D-03
 P 8 1.00
     Exponent=  4.1760000000D+02 Coefficients= -1.4357000000D-03
     Exponent=  9.8330000000D+01 Coefficients= -1.0779600000D-02
     Exponent=  3.1040000000D+01 Coefficients= -4.7007500000D-02
     Exponent=  1.1190000000D+01 Coefficients= -1.1103000000D-01
     Exponent=  4.2490000000D+00 Coefficients= -1.5327500000D-01
     Exponent=  1.6240000000D+00 Coefficients=  8.9460900000D-02
     Exponent=  5.3220000000D-01 Coefficients=  5.7944400000D-01
     Exponent=  1.6200000000D-01 Coefficients=  4.8327200000D-01
 P 1 1.00
     Exponent=  1.6200000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.6600000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.9600000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      21
 S 7 1.00
     Exponent=  5.3446000000D+01 Coefficients=  1.4860000000D-03
     Exponent=  1.7098100000D+01 Coefficients= -3.6592000000D-02
     Exponent=  1.0687500000D+01 Coefficients=  1.3215500000D-01
     Exponent=  3.3913400000D+00 Coefficients= -5.4645400000D-01
     Exponent=  7.8847500000D-01 Coefficients=  8.0229100000D-01
     Exponent=  3.5998200000D-01 Coefficients=  4.5830400000D-01
     Exponent=  7.7792000000D-02 Coefficients=  2.0388000000D-02
 S 7 1.00
     Exponent=  5.3446000000D+01 Coefficients= -3.0800000000D-04
     Exponent=  1.7098100000D+01 Coefficients=  9.6310000000D-03
     Exponent=  1.0687500000D+01 Coefficients= -3.9043000000D-02
     Exponent=  3.3913400000D+00 Coefficients=  1.8471700000D-01
     Exponent=  7.8847500000D-01 Coefficients= -3.5846900000D-01
     Exponent=  3.5998200000D-01 Coefficients= -3.2082800000D-01
     Exponent=  7.7792000000D-02 Coefficients=  6.5604800000D-01
 S 7 1.00
     Exponent=  5.3446000000D+01 Coefficients=  2.8110000000D-03
     Exponent=  1.7098100000D+01 Coefficients= -4.1292000000D-02
     Exponent=  1.0687500000D+01 Coefficients=  1.1489100000D-01
     Exponent=  3.3913400000D+00 Coefficients= -4.3480900000D-01
     Exponent=  7.8847500000D-01 Coefficients=  1.4174320000D+00
     Exponent=  3.5998200000D-01 Coefficients= -7.2861900000D-01
     Exponent=  7.7792000000D-02 Coefficients= -1.6769590000D+00
 S 1 1.00
     Exponent=  3.0234000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.1800000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  9.9011600000D+00 Coefficients=  2.1436000000D-02
     Exponent=  4.4181900000D+00 Coefficients= -1.6041300000D-01
     Exponent=  1.0931000000D+00 Coefficients=  4.5432600000D-01
     Exponent=  5.1878600000D-01 Coefficients=  4.9911900000D-01
     Exponent=  2.3636300000D-01 Coefficients=  1.7778300000D-01
     Exponent=  8.4707000000D-02 Coefficients=  1.0404000000D-02
 P 6 1.00
     Exponent=  9.9011600000D+00 Coefficients= -5.8310000000D-03
     Exponent=  4.4181900000D+00 Coefficients=  4.8152000000D-02
     Exponent=  1.0931000000D+00 Coefficients= -1.6008000000D-01
     Exponent=  5.1878600000D-01 Coefficients= -2.2013500000D-01
     Exponent=  2.3636300000D-01 Coefficients=  3.5515000000D-02
     Exponent=  8.4707000000D-02 Coefficients=  6.1817800000D-01
 P 6 1.00
     Exponent=  9.9011600000D+00 Coefficients= -7.8290000000D-03
     Exponent=  4.4181900000D+00 Coefficients=  6.6008000000D-02
     Exponent=  1.0931000000D+00 Coefficients= -2.1137400000D-01
     Exponent=  5.1878600000D-01 Coefficients= -3.5754900000D-01
     Exponent=  2.3636300000D-01 Coefficients=  1.7038700000D-01
     Exponent=  8.4707000000D-02 Coefficients=  8.5184000000D-01
 P 1 1.00
     Exponent=  3.1138000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1400000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  4.3948700000D+00 Coefficients= -8.2920000000D-03
     Exponent=  1.5708900000D+00 Coefficients=  1.2784900000D-01
     Exponent=  6.9235400000D-01 Coefficients=  3.2190900000D-01
     Exponent=  2.9041400000D-01 Coefficients=  3.9981900000D-01
     Exponent=  1.1587800000D-01 Coefficients=  3.1947600000D-01
 D 5 1.00
     Exponent=  4.3948700000D+00 Coefficients=  8.4760000000D-03
     Exponent=  1.5708900000D+00 Coefficients= -1.5798900000D-01
     Exponent=  6.9235400000D-01 Coefficients= -3.9790000000D-01
     Exponent=  2.9041400000D-01 Coefficients= -2.5559900000D-01
     Exponent=  1.1587800000D-01 Coefficients=  4.9141800000D-01
 D 1 1.00
     Exponent=  4.2925000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5900000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2720000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  8.9100000000D-02 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          6
                                   No pseudopotential on this center.
    4          6
                                   No pseudopotential on this center.
    5          6
                                   No pseudopotential on this center.
    6          6
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          6
                                   No pseudopotential on this center.
   10          6
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          6
                                   No pseudopotential on this center.
   14          6
                                   No pseudopotential on this center.
   15          6
                                   No pseudopotential on this center.
   16          6
                                   No pseudopotential on this center.
   17          6
                                   No pseudopotential on this center.
   18          6
                                   No pseudopotential on this center.
   19          6
                                   No pseudopotential on this center.
   20          6
                                   No pseudopotential on this center.
   21         40           12
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2        8.6365280      150.24299400    0.00000000
                                                     2        3.7176390       18.78003600    0.00000000
                                      P - G
                                                     2        7.6267280       33.19279100    0.00000000
                                                     2        7.4532070       66.38903900    0.00000000
                                                     2        3.3583890        4.62072600    0.00000000
                                                     2        3.2297380        9.26027000    0.00000000
                                      D - G
                                                     2        5.9380860       13.99338300    0.00000000
                                                     2        5.8255440       20.99588200    0.00000000
                                                     2        2.2050190        2.28516600    0.00000000
                                                     2        2.2062920        3.44126000    0.00000000
                                      F - G
                                                     2        4.8002150       -5.23932000    0.00000000
                                                     2        4.7989920       -6.98742400    0.00000000
   22         17
                                   No pseudopotential on this center.
   23         17
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
   38          1
                                   No pseudopotential on this center.
   39          1
                                   No pseudopotential on this center.
   40          1
                                   No pseudopotential on this center.
   41          1
                                   No pseudopotential on this center.
   42          1
                                   No pseudopotential on this center.
   43          1
                                   No pseudopotential on this center.
   44          1
                                   No pseudopotential on this center.
   45          1
                                   No pseudopotential on this center.
   46          1
                                   No pseudopotential on this center.
   47          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  104 primitive shells out of 925 were deleted.
 There are   838 symmetry adapted cartesian basis functions of A   symmetry.
 There are   784 symmetry adapted basis functions of A   symmetry.
   784 basis functions,  1529 primitive gaussians,   838 cartesian basis functions
    95 alpha electrons       95 beta electrons
       nuclear repulsion energy      2554.1761945610 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   47 NActive=   47 NUniq=   47 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Jul  8 21:34:47 2021, MaxMem= 10737418240 cpu:              41.3 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   56832 LenP2D=  238453.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   784 RedAO= T EigKep=  1.08D-06  NBF=   784
 NBsUse=   781 1.00D-06 EigRej=  8.02D-07 NBFU=   781
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  40.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   838   838   838   838   838 MxSgAt=    47 MxSgA2=    47.
 Leave Link  302 at Thu Jul  8 21:34:51 2021, MaxMem= 10737418240 cpu:              58.0 elap:               3.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 21:34:52 2021, MaxMem= 10737418240 cpu:               7.3 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "35_ZrEnThind2Cl2_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 21:34:57 2021, MaxMem= 10737418240 cpu:              58.0 elap:               3.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10735991813 LenY= 10735288731
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 E= -1743.59768636762    
 DIIS: error= 1.41D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -1743.59768636762     IErMin= 1 ErrMin= 1.41D-02
 ErrMax= 1.41D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-01 BMatP= 1.05D-01
 IDIUse=3 WtCom= 8.59D-01 WtEn= 1.41D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.341 Goal=   None    Shift=    0.000
 GapD=    0.341 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=6.59D-02 MaxDP=8.85D+00              OVMax= 2.93D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.21D-02    CP:  1.20D+00
 E= -1743.60688692265     Delta-E=       -0.009200555029 Rises=F Damp=T
 DIIS: error= 1.07D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -1743.60688692265     IErMin= 2 ErrMin= 1.07D-02
 ErrMax= 1.07D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.02D-02 BMatP= 1.05D-01
 IDIUse=3 WtCom= 8.93D-01 WtEn= 1.07D-01
 Coeff-Com: -0.303D+01 0.403D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.271D+01 0.371D+01
 Gap=     0.299 Goal=   None    Shift=    0.000
 RMSDP=6.04D-02 MaxDP=8.40D+00 DE=-9.20D-03 OVMax= 1.46D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.03D-02    CP:  1.92D+00  3.00D+00
 E= -1743.63624160227     Delta-E=       -0.029354679621 Rises=F Damp=F
 DIIS: error= 8.28D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -1743.63624160227     IErMin= 3 ErrMin= 8.28D-04
 ErrMax= 8.28D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-03 BMatP= 6.02D-02
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.28D-03
 Coeff-Com: -0.135D+01 0.179D+01 0.567D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.134D+01 0.177D+01 0.571D+00
 Gap=     0.296 Goal=   None    Shift=    0.000
 RMSDP=1.51D-03 MaxDP=1.93D-01 DE=-2.94D-02 OVMax= 9.77D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.77D-04    CP:  1.94D+00  3.00D+00  1.04D+00
 E= -1743.63739203071     Delta-E=       -0.001150428442 Rises=F Damp=F
 DIIS: error= 2.51D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -1743.63739203071     IErMin= 4 ErrMin= 2.51D-04
 ErrMax= 2.51D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-04 BMatP= 1.06D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.51D-03
 Coeff-Com: -0.206D-01 0.236D-01 0.224D+00 0.773D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.205D-01 0.235D-01 0.223D+00 0.774D+00
 Gap=     0.298 Goal=   None    Shift=    0.000
 RMSDP=4.37D-04 MaxDP=4.10D-02 DE=-1.15D-03 OVMax= 2.04D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.12D-04    CP:  1.95D+00  3.00D+00  1.05D+00  1.01D+00
 E= -1743.63750257006     Delta-E=       -0.000110539347 Rises=F Damp=F
 DIIS: error= 3.57D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -1743.63750257006     IErMin= 5 ErrMin= 3.57D-05
 ErrMax= 3.57D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.23D-06 BMatP= 1.04D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.152D+00-0.202D+00 0.160D-01 0.198D+00 0.836D+00
 Coeff:      0.152D+00-0.202D+00 0.160D-01 0.198D+00 0.836D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=1.13D-04 MaxDP=9.29D-03 DE=-1.11D-04 OVMax= 8.87D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.07D-05    CP:  1.95D+00  3.00D+00  1.05D+00  1.06D+00  1.21D+00
 E= -1743.63751019972     Delta-E=       -0.000007629657 Rises=F Damp=F
 DIIS: error= 1.44D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -1743.63751019972     IErMin= 6 ErrMin= 1.44D-05
 ErrMax= 1.44D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.24D-07 BMatP= 5.23D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.572D-01-0.756D-01-0.107D-01 0.317D-02 0.313D+00 0.712D+00
 Coeff:      0.572D-01-0.756D-01-0.107D-01 0.317D-02 0.313D+00 0.712D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=3.45D-05 MaxDP=2.98D-03 DE=-7.63D-06 OVMax= 3.07D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.26D-05    CP:  1.95D+00  3.00D+00  1.05D+00  1.06D+00  1.25D+00
                    CP:  9.75D-01
 E= -1743.63751139968     Delta-E=       -0.000001199959 Rises=F Damp=F
 DIIS: error= 6.41D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -1743.63751139968     IErMin= 7 ErrMin= 6.41D-06
 ErrMax= 6.41D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.78D-08 BMatP= 8.24D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.598D-02 0.800D-02-0.480D-02-0.287D-01-0.252D-01 0.210D+00
 Coeff-Com:  0.847D+00
 Coeff:     -0.598D-02 0.800D-02-0.480D-02-0.287D-01-0.252D-01 0.210D+00
 Coeff:      0.847D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=1.16D-05 MaxDP=5.90D-04 DE=-1.20D-06 OVMax= 2.81D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.03D-05    CP:  1.95D+00  3.00D+00  1.05D+00  1.06D+00  1.24D+00
                    CP:  1.00D+00  1.10D+00
 E= -1743.63751164405     Delta-E=       -0.000000244377 Rises=F Damp=F
 DIIS: error= 2.90D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -1743.63751164405     IErMin= 8 ErrMin= 2.90D-06
 ErrMax= 2.90D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.27D-08 BMatP= 9.78D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.128D-01 0.169D-01 0.158D-03-0.116D-01-0.682D-01-0.611D-01
 Coeff-Com:  0.310D+00 0.826D+00
 Coeff:     -0.128D-01 0.169D-01 0.158D-03-0.116D-01-0.682D-01-0.611D-01
 Coeff:      0.310D+00 0.826D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=6.49D-06 MaxDP=6.72D-04 DE=-2.44D-07 OVMax= 1.32D-04

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  4.05D-06    CP:  1.95D+00  3.00D+00  1.05D+00  1.06D+00  1.24D+00
                    CP:  1.01D+00  1.23D+00  1.15D+00
 E= -1743.63751170691     Delta-E=       -0.000000062860 Rises=F Damp=F
 DIIS: error= 1.04D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -1743.63751170691     IErMin= 9 ErrMin= 1.04D-06
 ErrMax= 1.04D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-09 BMatP= 2.27D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.250D-02 0.329D-02 0.893D-03 0.218D-02-0.143D-01-0.568D-01
 Coeff-Com: -0.626D-01 0.219D+00 0.911D+00
 Coeff:     -0.250D-02 0.329D-02 0.893D-03 0.218D-02-0.143D-01-0.568D-01
 Coeff:     -0.626D-01 0.219D+00 0.911D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=2.62D-06 MaxDP=1.70D-04 DE=-6.29D-08 OVMax= 7.76D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.93D-06    CP:  1.95D+00  3.00D+00  1.05D+00  1.06D+00  1.24D+00
                    CP:  1.02D+00  1.26D+00  1.25D+00  1.14D+00
 E= -1743.63751171819     Delta-E=       -0.000000011272 Rises=F Damp=F
 DIIS: error= 4.15D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -1743.63751171819     IErMin=10 ErrMin= 4.15D-07
 ErrMax= 4.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.17D-10 BMatP= 3.07D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.136D-02-0.181D-02 0.245D-03 0.296D-02 0.740D-02-0.974D-02
 Coeff-Com: -0.773D-01-0.712D-01 0.319D+00 0.829D+00
 Coeff:      0.136D-02-0.181D-02 0.245D-03 0.296D-02 0.740D-02-0.974D-02
 Coeff:     -0.773D-01-0.712D-01 0.319D+00 0.829D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=1.54D-06 MaxDP=1.90D-04 DE=-1.13D-08 OVMax= 2.79D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.07D-07    CP:  1.95D+00  3.00D+00  1.05D+00  1.06D+00  1.24D+00
                    CP:  1.02D+00  1.27D+00  1.26D+00  1.24D+00  1.18D+00
 E= -1743.63751171941     Delta-E=       -0.000000001221 Rises=F Damp=F
 DIIS: error= 1.30D-07 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -1743.63751171941     IErMin=11 ErrMin= 1.30D-07
 ErrMax= 1.30D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.07D-11 BMatP= 6.17D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.795D-03-0.105D-02-0.795D-04 0.650D-03 0.452D-02 0.515D-02
 Coeff-Com: -0.156D-01-0.518D-01-0.281D-01 0.250D+00 0.835D+00
 Coeff:      0.795D-03-0.105D-02-0.795D-04 0.650D-03 0.452D-02 0.515D-02
 Coeff:     -0.156D-01-0.518D-01-0.281D-01 0.250D+00 0.835D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=4.37D-07 MaxDP=2.95D-05 DE=-1.22D-09 OVMax= 9.30D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.63D-07    CP:  1.95D+00  3.00D+00  1.05D+00  1.06D+00  1.24D+00
                    CP:  1.02D+00  1.27D+00  1.26D+00  1.25D+00  1.28D+00
                    CP:  1.13D+00
 E= -1743.63751172041     Delta-E=       -0.000000001007 Rises=F Damp=F
 DIIS: error= 4.09D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -1743.63751172041     IErMin=12 ErrMin= 4.09D-08
 ErrMax= 4.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.02D-12 BMatP= 7.07D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.134D-04-0.170D-04-0.468D-04-0.206D-03 0.144D-03 0.246D-02
 Coeff-Com:  0.573D-02-0.279D-02-0.462D-01-0.474D-01 0.185D+00 0.904D+00
 Coeff:      0.134D-04-0.170D-04-0.468D-04-0.206D-03 0.144D-03 0.246D-02
 Coeff:      0.573D-02-0.279D-02-0.462D-01-0.474D-01 0.185D+00 0.904D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=1.50D-07 MaxDP=1.10D-05 DE=-1.01D-09 OVMax= 3.00D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.05D-07    CP:  1.95D+00  3.00D+00  1.05D+00  1.06D+00  1.24D+00
                    CP:  1.02D+00  1.27D+00  1.26D+00  1.25D+00  1.29D+00
                    CP:  1.22D+00  1.24D+00
 E= -1743.63751172005     Delta-E=        0.000000000368 Rises=F Damp=F
 DIIS: error= 2.24D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -1743.63751172041     IErMin=13 ErrMin= 2.24D-08
 ErrMax= 2.24D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.59D-12 BMatP= 8.02D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.133D-03 0.176D-03 0.392D-05-0.174D-03-0.757D-03-0.218D-03
 Coeff-Com:  0.441D-02 0.841D-02-0.891D-02-0.576D-01-0.901D-01 0.285D+00
 Coeff-Com:  0.859D+00
 Coeff:     -0.133D-03 0.176D-03 0.392D-05-0.174D-03-0.757D-03-0.218D-03
 Coeff:      0.441D-02 0.841D-02-0.891D-02-0.576D-01-0.901D-01 0.285D+00
 Coeff:      0.859D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=8.43D-08 MaxDP=1.02D-05 DE= 3.68D-10 OVMax= 1.10D-06

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.22D-08    CP:  1.95D+00  3.00D+00  1.05D+00  1.06D+00  1.24D+00
                    CP:  1.02D+00  1.27D+00  1.26D+00  1.24D+00  1.29D+00
                    CP:  1.24D+00  1.37D+00  1.11D+00
 E= -1743.63751172095     Delta-E=       -0.000000000900 Rises=F Damp=F
 DIIS: error= 6.93D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -1743.63751172095     IErMin=14 ErrMin= 6.93D-09
 ErrMax= 6.93D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.28D-13 BMatP= 1.59D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D-04 0.135D-04 0.839D-05 0.123D-04-0.852D-04-0.390D-03
 Coeff-Com: -0.379D-03 0.109D-02 0.512D-02 0.272D-02-0.299D-01-0.938D-01
 Coeff-Com:  0.596D-01 0.106D+01
 Coeff:     -0.102D-04 0.135D-04 0.839D-05 0.123D-04-0.852D-04-0.390D-03
 Coeff:     -0.379D-03 0.109D-02 0.512D-02 0.272D-02-0.299D-01-0.938D-01
 Coeff:      0.596D-01 0.106D+01
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=2.76D-08 MaxDP=4.36D-06 DE=-9.00D-10 OVMax= 3.55D-07

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  1.49D-08    CP:  1.95D+00  3.00D+00  1.05D+00  1.06D+00  1.24D+00
                    CP:  1.02D+00  1.27D+00  1.26D+00  1.25D+00  1.30D+00
                    CP:  1.24D+00  1.38D+00  1.16D+00  1.21D+00
 E= -1743.63751172052     Delta-E=        0.000000000427 Rises=F Damp=F
 DIIS: error= 1.51D-09 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=14 EnMin= -1743.63751172095     IErMin=15 ErrMin= 1.51D-09
 ErrMax= 1.51D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-14 BMatP= 1.28D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.139D-04-0.184D-04 0.109D-05 0.232D-04 0.754D-04-0.442D-04
 Coeff-Com: -0.569D-03-0.764D-03 0.170D-02 0.712D-02 0.516D-02-0.496D-01
 Coeff-Com: -0.865D-01 0.191D+00 0.932D+00
 Coeff:      0.139D-04-0.184D-04 0.109D-05 0.232D-04 0.754D-04-0.442D-04
 Coeff:     -0.569D-03-0.764D-03 0.170D-02 0.712D-02 0.516D-02-0.496D-01
 Coeff:     -0.865D-01 0.191D+00 0.932D+00
 Gap=     0.297 Goal=   None    Shift=    0.000
 RMSDP=8.25D-09 MaxDP=6.44D-07 DE= 4.27D-10 OVMax= 1.20D-07

 SCF Done:  E(RM11) =  -1743.63751172     A.U. after   15 cycles
            NFock= 15  Conv=0.83D-08     -V/T= 2.0229
 KE= 1.704565592596D+03 PE=-9.187428534614D+03 EE= 3.185049235737D+03
 Leave Link  502 at Thu Jul  8 22:57:58 2021, MaxMem= 10737418240 cpu:           79607.9 elap:            4981.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   781
 NBasis=   784 NAE=    95 NBE=    95 NFC=     0 NFV=     0
 NROrb=    781 NOA=    95 NOB=    95 NVA=   686 NVB=   686

 **** Warning!!: The largest alpha MO coefficient is  0.13611863D+03

 Leave Link  801 at Thu Jul  8 22:57:59 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  40.
        14791 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          47
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   57292 LenP2D=  338979.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 Defaulting to unpruned grid for atomic number  40.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.09D-12 8.33D-09 XBig12= 1.00D+00 1.69D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.09D-12 8.33D-09 XBig12= 2.17D-01 3.13D-02.
     11 vectors produced by pass  2 Test12= 1.09D-12 8.33D-09 XBig12= 6.05D-02 5.19D-02.
     11 vectors produced by pass  3 Test12= 1.09D-12 8.33D-09 XBig12= 9.01D-03 2.42D-02.
     11 vectors produced by pass  4 Test12= 1.09D-12 8.33D-09 XBig12= 1.23D-03 8.01D-03.
     11 vectors produced by pass  5 Test12= 1.09D-12 8.33D-09 XBig12= 2.21D-04 2.39D-03.
     11 vectors produced by pass  6 Test12= 1.09D-12 8.33D-09 XBig12= 2.66D-05 9.41D-04.
     11 vectors produced by pass  7 Test12= 1.09D-12 8.33D-09 XBig12= 2.71D-06 3.07D-04.
     11 vectors produced by pass  8 Test12= 1.09D-12 8.33D-09 XBig12= 2.89D-07 8.22D-05.
     11 vectors produced by pass  9 Test12= 1.09D-12 8.33D-09 XBig12= 2.40D-08 2.58D-05.
     11 vectors produced by pass 10 Test12= 1.09D-12 8.33D-09 XBig12= 1.80D-09 7.14D-06.
     11 vectors produced by pass 11 Test12= 1.09D-12 8.33D-09 XBig12= 1.12D-10 1.52D-06.
     10 vectors produced by pass 12 Test12= 1.09D-12 8.33D-09 XBig12= 5.29D-12 2.88D-07.
      8 vectors produced by pass 13 Test12= 1.09D-12 8.33D-09 XBig12= 1.35D-12 8.47D-08.
      5 vectors produced by pass 14 Test12= 1.09D-12 8.33D-09 XBig12= 1.49D-12 4.49D-08.
      4 vectors produced by pass 15 Test12= 1.09D-12 8.33D-09 XBig12= 2.14D-12 4.71D-08.
      3 vectors produced by pass 16 Test12= 1.09D-12 8.33D-09 XBig12= 7.06D-13 2.89D-08.
      1 vectors produced by pass 17 Test12= 1.09D-12 8.33D-09 XBig12= 1.62D-13 1.53D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.53D-14
 Solved reduced A of dimension   163 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.337543D+03
      2 -0.426102D+00  0.270473D+03
      3 -0.274183D+01  0.386288D+00  0.251822D+03
 Isotropic polarizability for W=    0.085645      286.61 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.333862D+01 -0.999373D+02 -0.775783D+01
      2   0.782168D+01  0.194988D+03  0.339016D+00
      3  -0.448306D+01 -0.950504D+02  0.741882D+01
      4   0.324291D+02  0.146525D+02 -0.317921D+02
      5  -0.144308D+02 -0.280192D+02 -0.797698D+01
      6  -0.760931D+01 -0.111460D+02  0.119381D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.288743D+00 -0.961394D+00 -0.488757D+02
      2  -0.673169D+00 -0.138768D+02 -0.184804D+01
      3   0.792178D+02 -0.449874D+01  0.144220D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.377289D+01 -0.114850D+02 -0.106988D+03
      2   0.667301D+01 -0.241828D+02 -0.349392D+01
      3   0.132366D+03 -0.683081D+01  0.204099D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.121586D+01 -0.192862D+00 -0.441329D+01
      2  -0.192862D+00  0.130969D+01  0.296104D+00
      3  -0.441329D+01  0.296104D+00 -0.169153D+01
 OR G Eigenvalues:    -4.8870     1.2776     4.4434  Iso=    -0.2780
 Eigenvectors:
   (1)   0.585438  -0.020506   0.810458
   (2)   0.096853   0.994290  -0.044805
   (3)   0.804911  -0.104726  -0.584081
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2780 au.
 Molar Mass =    426.5356 grams/mole, [Alpha] ( 5320.0 A) =      -30.91 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  307720 ScalPx= 9.92D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  307720 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.09D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.81D-13 2.78D-09 XBig12= 1.00D+00 3.46D-01.
     30 vectors produced by pass  1 Test12= 1.81D-13 2.78D-09 XBig12= 2.44D-01 9.74D-02.
     30 vectors produced by pass  2 Test12= 1.81D-13 2.78D-09 XBig12= 1.10D-02 1.48D-02.
     30 vectors produced by pass  3 Test12= 1.81D-13 2.78D-09 XBig12= 5.61D-04 3.05D-03.
     30 vectors produced by pass  4 Test12= 1.81D-13 2.78D-09 XBig12= 4.49D-05 8.45D-04.
     30 vectors produced by pass  5 Test12= 1.81D-13 2.78D-09 XBig12= 1.46D-06 1.74D-04.
     30 vectors produced by pass  6 Test12= 1.81D-13 2.78D-09 XBig12= 4.76D-08 2.20D-05.
     30 vectors produced by pass  7 Test12= 1.81D-13 2.78D-09 XBig12= 1.35D-09 2.90D-06.
     30 vectors produced by pass  8 Test12= 1.81D-13 2.78D-09 XBig12= 2.66D-11 2.93D-07.
     30 vectors produced by pass  9 Test12= 1.81D-13 2.78D-09 XBig12= 2.26D-12 7.92D-08.
     12 vectors produced by pass 10 Test12= 1.81D-13 2.78D-09 XBig12= 1.15D-12 3.52D-08.
      4 vectors produced by pass 11 Test12= 1.81D-13 2.78D-09 XBig12= 6.38D-13 2.92D-08.
      2 vectors produced by pass 12 Test12= 1.81D-13 2.78D-09 XBig12= 1.70D-13 1.74D-08.
      1 vectors produced by pass 13 Test12= 1.81D-13 2.78D-09 XBig12= 2.53D-14 5.98D-09.
      1 vectors produced by pass 14 Test12= 1.81D-13 2.78D-09 XBig12= 8.03D-15 4.21D-09.
      1 vectors produced by pass 15 Test12= 1.81D-13 2.78D-09 XBig12= 5.99D-15 2.94D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   321 with    30 vectors.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   57292 LenP2D=  338979.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  307720 ScalPx= 3.08D+04
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  307720 ScalPx= 3.08D+04
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  307720 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.35D+04
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   57291 NPrTT=  338979 LenC2=   57292 LenP2D=  338979.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.337543D+03 -0.426102D+00 -0.274183D+01
      2  -0.426102D+00  0.270473D+03  0.386288D+00
      3  -0.274183D+01  0.386288D+00  0.251822D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.288743D+00 -0.961394D+00 -0.488757D+02
      2  -0.673169D+00 -0.138768D+02 -0.184804D+01
      3   0.792178D+02 -0.449874D+01  0.144220D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.333862D+01 -0.999373D+02 -0.775783D+01
      2   0.782168D+01  0.194988D+03  0.339016D+00
      3  -0.448306D+01 -0.950504D+02  0.741882D+01
      4   0.324291D+02  0.146525D+02 -0.317921D+02
      5  -0.144308D+02 -0.280192D+02 -0.797698D+01
      6  -0.760931D+01 -0.111460D+02  0.119381D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.504341D+01  0.103239D+01  0.897880D+00  0.109584D+01 -0.183619D+01
      2   0.103239D+01 -0.664290D+00  0.340564D-02 -0.183619D+01 -0.665998D+01
      3   0.897880D+00  0.340564D-02  0.156114D+01  0.567217D+00  0.807435D+00
                 6             7             8             9            10 
      1   0.567217D+00  0.269738D+01  0.751425D+00  0.279300D+00  0.927018D+01
      2   0.807435D+00  0.751425D+00  0.729048D+00 -0.369347D+00  0.328669D+01
      3   0.790948D+00  0.279300D+00 -0.369347D+00  0.384536D+01 -0.227776D+00
                11            12            13            14            15 
      1   0.328669D+01 -0.227776D+00  0.973410D+01  0.296958D+01 -0.297254D+01
      2   0.530522D+01 -0.180394D+01  0.296958D+01  0.345525D+00  0.302899D+00
      3  -0.180394D+01  0.145434D+01 -0.297254D+01  0.302899D+00  0.191956D+01
                16            17            18            19            20 
      1  -0.597127D+01 -0.453828D+00  0.288622D+01  0.143055D+02 -0.273611D+01
      2  -0.453828D+00 -0.274443D+01  0.122943D+01 -0.273611D+01  0.266574D+01
      3   0.288622D+01  0.122943D+01 -0.200629D+01  0.500925D+01 -0.130820D+01
                21            22            23            24            25 
      1   0.500925D+01 -0.979720D+01  0.632385D+00  0.330796D+01  0.398878D+01
      2  -0.130820D+01  0.632385D+00 -0.642249D+00 -0.405836D+00  0.255319D+01
      3   0.288238D+01  0.330796D+01 -0.405836D+00 -0.654540D+00 -0.194583D+01
                26            27            28            29            30 
      1   0.255319D+01 -0.194583D+01 -0.662582D+01  0.614171D+00 -0.357167D+01
      2  -0.259654D+01 -0.103545D+00  0.614171D+00  0.741908D+00  0.115496D+01
      3  -0.103545D+00  0.328972D+00 -0.357167D+01  0.115496D+01 -0.334425D+01
                31            32            33            34            35 
      1   0.151127D+01 -0.131863D+01  0.594634D+00 -0.537376D+01  0.133719D+01
      2  -0.131863D+01  0.537325D+01 -0.453222D+00  0.133719D+01  0.770691D+00
      3   0.594634D+00 -0.453222D+00 -0.614093D+00 -0.542716D+01 -0.424938D+00
                36            37            38            39            40 
      1  -0.542716D+01 -0.757815D+01  0.493094D+01  0.106996D+01  0.571512D+01
      2  -0.424938D+00  0.493094D+01 -0.999918D+00 -0.176383D+00 -0.101801D+01
      3  -0.187383D+01  0.106996D+01 -0.176383D+00  0.279764D+01 -0.125712D+00
                41            42            43            44            45 
      1  -0.101801D+01 -0.125712D+00 -0.123188D+00 -0.530884D-01  0.370252D+01
      2  -0.212529D+01  0.859246D+00 -0.530884D-01  0.771236D+00  0.201917D+01
      3   0.859246D+00  0.196492D+01  0.370252D+01  0.201917D+01  0.617659D+00
                46            47            48            49            50 
      1   0.197683D+01 -0.371286D+01  0.596447D+00 -0.614088D+01 -0.113442D+01
      2  -0.371286D+01 -0.601953D+00  0.359047D+00 -0.113442D+01  0.242284D+01
      3   0.596447D+00  0.359047D+00 -0.382429D+01  0.419076D+00 -0.525395D+00
                51            52            53            54            55 
      1   0.419076D+00  0.221401D+01  0.499075D+00 -0.674716D+01  0.244747D+01
      2  -0.525395D+00  0.499075D+00 -0.418452D+00 -0.331089D+01  0.128513D+01
      3  -0.270945D+01 -0.674716D+01 -0.331089D+01  0.895412D+00  0.260850D+00
                56            57            58            59            60 
      1   0.128513D+01  0.260850D+00 -0.126519D+01 -0.647455D+00  0.146106D+01
      2  -0.251926D+01  0.169710D+00 -0.647455D+00  0.104849D+01 -0.227937D+00
      3   0.169710D+00  0.441567D+01  0.146106D+01 -0.227937D+00 -0.113653D+01
                61            62            63            64            65 
      1   0.432357D+01 -0.201172D+01  0.565682D+01 -0.993864D+00 -0.107842D+01
      2  -0.201172D+01  0.962956D+00  0.668789D+00 -0.107842D+01  0.422243D+00
      3   0.565682D+01  0.668789D+00  0.651889D+01  0.140573D+01  0.148537D+01
                66            67            68            69            70 
      1   0.140573D+01  0.173181D+01  0.102906D+01  0.226954D+00 -0.162203D-01
      2   0.148537D+01  0.102906D+01 -0.114714D+01  0.922207D+00 -0.835044D+00
      3   0.659606D+00  0.226954D+00  0.922207D+00  0.423299D+01  0.215120D+01
                71            72            73            74            75 
      1  -0.835044D+00  0.215120D+01 -0.521538D+01  0.940842D+00 -0.328371D-01
      2   0.464153D+01  0.289066D+01  0.940842D+00 -0.182301D+01  0.320068D+01
      3   0.289066D+01  0.797641D+01 -0.328371D-01  0.320068D+01  0.795623D-01
                76            77            78            79            80 
      1   0.160760D+01  0.519668D+00 -0.221631D+00  0.598206D+00  0.230744D+01
      2   0.519668D+00  0.119716D+02  0.162598D+01  0.230744D+01  0.103852D+01
      3  -0.221631D+00  0.162598D+01  0.195963D+01 -0.797130D+00  0.186372D+00
                81            82            83            84            85 
      1  -0.797130D+00  0.497409D+00 -0.292382D+01 -0.193676D+01 -0.119578D+01
      2   0.186372D+00 -0.292382D+01 -0.476065D+01 -0.661933D+00 -0.305870D+01
      3  -0.216175D+01 -0.193676D+01 -0.661933D+00  0.174782D+01  0.227503D+00
                86            87            88            89            90 
      1  -0.305870D+01  0.227503D+00 -0.128969D+01  0.178399D-01  0.256084D+01
      2  -0.782818D+01 -0.133932D+01  0.178399D-01  0.919707D+00 -0.116459D+01
      3  -0.133932D+01 -0.107150D+00  0.256084D+01 -0.116459D+01  0.484234D+00
                91            92            93            94            95 
      1  -0.807083D+00 -0.280340D+01  0.195518D+01 -0.936339D+00  0.291045D+01
      2  -0.280340D+01  0.468539D+01 -0.792493D+00  0.291045D+01 -0.777273D+01
      3   0.195518D+01 -0.792493D+00 -0.175826D+01  0.425277D-01  0.150024D+01
                96            97            98            99           100 
      1   0.425277D-01  0.103250D+01 -0.161634D+00 -0.257496D+01  0.631086D+01
      2   0.150024D+01 -0.161634D+00 -0.815476D+00 -0.118521D+01  0.508039D+00
      3  -0.100863D+00 -0.257496D+01 -0.118521D+01 -0.464723D+00 -0.138722D-01
               101           102           103           104           105 
      1   0.508039D+00 -0.138722D-01  0.104695D+01  0.762508D-01 -0.269160D+00
      2   0.207941D+01  0.277262D+01  0.762508D-01  0.116145D+02 -0.161868D+01
      3   0.277262D+01 -0.301923D+00 -0.269160D+00 -0.161868D+01  0.180378D+01
               106           107           108           109           110 
      1   0.118658D+00  0.236492D+01  0.991815D+00 -0.910349D+01  0.387607D+01
      2   0.236492D+01 -0.109415D+01  0.542314D+00  0.387607D+01 -0.629936D+01
      3   0.991815D+00  0.542314D+00  0.225146D+01 -0.258344D+00 -0.143279D+01
               111           112           113           114           115 
      1  -0.258344D+00  0.993272D+01 -0.385170D+01 -0.195048D+01  0.659365D+01
      2  -0.143279D+01 -0.385170D+01  0.674297D+00 -0.125172D+00 -0.663743D+00
      3  -0.757119D+00 -0.195048D+01 -0.125172D+00  0.188272D+01 -0.287835D+01
               116           117           118           119           120 
      1  -0.663743D+00 -0.287835D+01 -0.150352D+02 -0.269289D+01 -0.498800D+01
      2   0.266258D+01  0.121429D+01 -0.269289D+01 -0.283601D+01 -0.117586D+01
      3   0.121429D+01  0.143244D+01 -0.498800D+01 -0.117586D+01 -0.319716D+01
               121           122           123           124           125 
      1  -0.845993D+01 -0.380627D+00  0.325346D+01 -0.420278D+01  0.251541D+01
      2  -0.380627D+00 -0.417525D+00  0.316598D+00  0.251541D+01  0.239907D+01
      3   0.325346D+01  0.316598D+00 -0.836146D+00  0.147385D+01 -0.318652D+00
               126           127           128           129           130 
      1   0.147385D+01 -0.156443D+01  0.197429D+01  0.560807D+00 -0.771299D+00
      2  -0.318652D+00  0.197429D+01  0.268965D+01  0.388576D+00  0.900803D+00
      3  -0.878168D+00  0.560807D+00  0.388576D+00 -0.416826D+01  0.144382D+01
               131           132           133           134           135 
      1   0.900803D+00  0.144382D+01 -0.473889D+01 -0.203935D+01 -0.556846D+01
      2   0.808212D+00  0.351555D+00 -0.203935D+01 -0.688896D+00  0.673379D+00
      3   0.351555D+00 -0.905004D+00 -0.556846D+01  0.673379D+00 -0.699927D+01
               136           137           138           139           140 
      1   0.728311D+00 -0.115318D+01 -0.127880D+01  0.162814D+01 -0.136567D+01
      2  -0.115318D+01 -0.560359D-01  0.130520D+01 -0.136567D+01 -0.118590D+01
      3  -0.127880D+01  0.130520D+01 -0.369876D+00 -0.469254D-01 -0.133868D+01
               141           142           143           144           145 
      1  -0.469254D-01  0.422476D-01 -0.128845D+01 -0.185938D+01  0.437233D+01
      2  -0.133868D+01 -0.128845D+01 -0.447268D+01  0.267884D+01 -0.236953D+01
      3   0.399573D+01 -0.185938D+01  0.267884D+01 -0.803192D+01 -0.808765D+00
               146           147           148           149           150 
      1  -0.236953D+01 -0.808765D+00 -0.487643D+01  0.634405D+01 -0.110284D+01
      2   0.353686D+01 -0.154577D+01  0.634405D+01 -0.555374D+01 -0.345887D+00
      3  -0.154577D+01 -0.119333D+01 -0.110284D+01 -0.345887D+00 -0.133931D+01
               151           152           153           154           155 
      1  -0.156537D+01 -0.288817D+01 -0.570658D+00  0.115079D+01 -0.272369D+01
      2  -0.288817D+01  0.181795D+00 -0.211458D+01 -0.272369D+01 -0.404660D+00
      3  -0.570658D+00 -0.211458D+01 -0.165351D+01 -0.256906D+01  0.356858D+01
               156           157           158           159           160 
      1  -0.256906D+01 -0.457027D+01 -0.378094D+00  0.454893D+01 -0.252096D+01
      2   0.356858D+01 -0.378094D+00  0.633858D+00 -0.161418D+01  0.427017D+01
      3   0.188819D+01  0.454893D+01 -0.161418D+01  0.522956D+00  0.198893D+01
               161           162           163           164           165 
      1   0.427017D+01  0.198893D+01  0.496199D+01  0.315164D+01  0.611462D+00
      2  -0.158643D+01  0.983959D+00  0.315164D+01  0.156272D+01 -0.303481D+01
      3   0.983959D+00 -0.152267D+01  0.611462D+00 -0.303481D+01 -0.451417D+00
               166           167           168           169           170 
      1   0.534683D+01  0.291431D+01 -0.448388D+01  0.679248D+00 -0.465388D+01
      2   0.291431D+01 -0.448872D+00  0.949834D+00 -0.465388D+01  0.709510D+00
      3  -0.448388D+01  0.949834D+00 -0.178914D+01  0.376783D+00 -0.206933D+01
               171           172           173           174           175 
      1   0.376783D+00  0.349011D+01  0.228217D+00  0.614558D+00  0.246560D+01
      2  -0.206933D+01  0.228217D+00  0.459862D+00  0.248941D+01  0.227470D+01
      3   0.579929D+00  0.614558D+00  0.248941D+01  0.193100D+01  0.290546D+01
               176           177           178           179           180 
      1   0.227470D+01  0.290546D+01 -0.112671D+00  0.248049D+01  0.332101D+01
      2   0.323171D+01 -0.429415D+00  0.248049D+01 -0.849912D+00  0.313960D+01
      3  -0.429415D+00  0.224218D+01  0.332101D+01  0.313960D+01  0.284071D+01
               181           182           183           184           185 
      1   0.232834D-01 -0.478342D+01  0.382913D-01  0.127799D+00 -0.359537D+00
      2  -0.478342D+01 -0.183099D+00 -0.140764D+01 -0.359537D+00 -0.924157D+01
      3   0.382913D-01 -0.140764D+01  0.220454D+00 -0.496408D+00  0.440471D+00
               186           187           188           189           190 
      1  -0.496408D+00 -0.292700D+00 -0.198419D+01  0.296607D+00  0.851879D+01
      2   0.440471D+00 -0.198419D+01  0.907188D-01 -0.358659D+01 -0.151733D+01
      3  -0.206086D+01  0.296607D+00 -0.358659D+01  0.157724D+00  0.225060D+00
               191           192           193           194           195 
      1  -0.151733D+01  0.225060D+00 -0.465416D+01  0.127897D+01 -0.945200D+00
      2   0.544412D+00  0.548060D+00  0.127897D+01 -0.996920D+01 -0.226022D+01
      3   0.548060D+00  0.142652D+01 -0.945200D+00 -0.226022D+01 -0.275678D+01
               196           197           198           199           200 
      1  -0.351522D+01  0.698994D+00 -0.128974D-01 -0.900206D+01 -0.813098D+00
      2   0.698994D+00 -0.155378D+01 -0.286951D+01 -0.813098D+00 -0.894966D+00
      3  -0.128974D-01 -0.286951D+01 -0.637284D+01 -0.127793D+00  0.434322D+00
               201           202           203           204           205 
      1  -0.127793D+00 -0.330885D+01 -0.147121D+01 -0.767542D+00  0.405666D+01
      2   0.434322D+00 -0.147121D+01 -0.883756D+01  0.236891D+01  0.591461D+00
      3  -0.185313D+01 -0.767542D+00  0.236891D+01 -0.225746D+01 -0.358817D+00
               206           207           208           209           210 
      1   0.591461D+00 -0.358817D+00 -0.217830D+01  0.925491D+00  0.246838D+01
      2   0.209600D+01 -0.265208D+01  0.925491D+00 -0.803631D+00 -0.129730D+01
      3  -0.265208D+01  0.740374D+01  0.246838D+01 -0.129730D+01 -0.408336D+01
               211           212           213           214           215 
      1   0.833536D+00 -0.575807D+00 -0.632842D+00  0.217479D+01 -0.407810D+00
      2  -0.575807D+00  0.559113D+00  0.479721D+00 -0.407810D+00  0.657733D+00
      3  -0.632842D+00  0.479721D+00 -0.750941D-01 -0.234080D+01  0.226483D+00
               216           217           218           219           220 
      1  -0.234080D+01  0.266288D+00 -0.383968D+00  0.373321D-01 -0.106156D+01
      2   0.226483D+00 -0.383968D+00  0.273247D+00  0.467989D-02  0.852681D+00
      3   0.385563D+01  0.373321D-01  0.467989D-02 -0.842089D+00 -0.113053D+01
               221           222           223           224           225 
      1   0.852681D+00 -0.113053D+01  0.538302D+00 -0.208394D+00 -0.207449D-01
      2  -0.328837D+01  0.330858D+01 -0.208394D+00  0.223540D+01 -0.265032D+01
      3   0.330858D+01 -0.431578D+01 -0.207449D-01 -0.265032D+01  0.423605D+01
               226           227           228           229           230 
      1  -0.138671D+01 -0.552424D+00 -0.960264D+00 -0.149015D+01 -0.731987D-01
      2  -0.552424D+00 -0.396090D+00  0.149894D+00 -0.731987D-01  0.893333D+00
      3  -0.960264D+00  0.149894D+00 -0.920975D+00 -0.658409D-01 -0.752288D+00
               231           232           233           234           235 
      1  -0.658409D-01 -0.340099D+01 -0.467390D+00  0.718922D+00  0.737721D+00
      2  -0.752288D+00 -0.467390D+00 -0.110339D+01  0.108084D+01  0.925717D+00
      3  -0.579299D+00  0.718922D+00  0.108084D+01 -0.557200D+01  0.240559D-01
               236           237           238           239           240 
      1   0.925717D+00  0.240559D-01  0.278159D+01  0.190911D+01 -0.696741D+00
      2   0.853042D+00 -0.106280D+00  0.190911D+01  0.902723D+01 -0.123081D+01
      3  -0.106280D+00 -0.229804D+00 -0.696741D+00 -0.123081D+01  0.776224D+00
               241           242           243           244           245 
      1   0.179815D+00 -0.331020D-02  0.139959D+00  0.606946D+01  0.213812D+01
      2  -0.331020D-02  0.318980D-01  0.957474D+00  0.213812D+01  0.124765D+01
      3   0.139959D+00  0.957474D+00 -0.457451D+00 -0.351885D+01 -0.109769D+01
               246           247           248           249           250 
      1  -0.351885D+01  0.255463D+01  0.194112D+01 -0.124492D+01 -0.594778D+01
      2  -0.109769D+01  0.194112D+01  0.122189D+01 -0.144376D+01 -0.184887D+01
      3   0.257484D+01 -0.124492D+01 -0.144376D+01  0.142460D+01  0.510520D+01
               251           252           253           254           255 
      1  -0.184887D+01  0.510520D+01  0.430061D+01  0.206212D+01  0.187337D+01
      2  -0.169921D+01  0.230100D+01  0.206212D+01  0.123036D+01  0.663487D+00
      3   0.230100D+01 -0.497243D+01  0.187337D+01  0.663487D+00  0.154125D+01
               256           257           258           259           260 
      1   0.285058D+01  0.185001D+01  0.840015D+00  0.422218D+01  0.156685D+01
      2   0.185001D+01  0.156803D+01  0.115767D+01  0.156685D+01  0.189544D+01
      3   0.840015D+00  0.115767D+01  0.118590D+01  0.306902D+01  0.176017D+01
               261           262           263           264           265 
      1   0.306902D+01 -0.211681D+01 -0.133822D+01 -0.103166D+01 -0.177578D+01
      2   0.176017D+01 -0.133822D+01 -0.466474D+00 -0.242512D+00 -0.167905D+00
      3   0.301482D+01 -0.103166D+01 -0.242512D+00 -0.121150D+01 -0.795755D-01
               266           267           268           269           270 
      1  -0.167905D+00 -0.795755D-01 -0.141374D+01 -0.198245D+00 -0.428956D+00
      2  -0.868114D+00 -0.951085D+00 -0.198245D+00 -0.164896D+01 -0.155981D+01
      3  -0.951085D+00 -0.119587D+01 -0.428956D+00 -0.155981D+01 -0.365955D+01
               271           272           273           274           275 
      1   0.134484D+02 -0.430291D+01 -0.165177D+01 -0.418153D+01  0.304505D+01
      2  -0.430291D+01  0.242173D+01  0.361827D+00  0.304505D+01 -0.187441D+01
      3  -0.165177D+01  0.361827D+00  0.755481D+00  0.591271D+00 -0.400613D+00
               276           277           278           279           280 
      1   0.591271D+00 -0.522803D+00  0.289535D+00  0.130724D+01  0.841443D+01
      2  -0.400613D+00  0.289535D+00 -0.168914D+00 -0.807602D+00 -0.133591D+01
      3  -0.593172D+00  0.130724D+01 -0.807602D+00 -0.363965D+00  0.398012D+01
               281           282           283           284           285 
      1  -0.133591D+01  0.398012D+01  0.356796D+00  0.137191D+01 -0.663774D-01
      2   0.706088D+00 -0.865199D+00  0.137191D+01 -0.903801D+00  0.858802D+00
      3  -0.865199D+00  0.311712D+01 -0.663774D-01  0.858802D+00  0.330345D+00
               286           287           288           289           290 
      1   0.714363D+01 -0.179016D+01  0.493332D+01 -0.412393D+00 -0.105365D+01
      2  -0.179016D+01  0.107677D+01 -0.106941D+01 -0.105365D+01 -0.578737D+00
      3   0.493332D+01 -0.106941D+01  0.519724D+01  0.559827D-01  0.626643D-01
               291           292           293           294           295 
      1   0.559827D-01 -0.277245D+01  0.189546D+01 -0.124076D+00  0.355021D+00
      2   0.626643D-01  0.189546D+01 -0.760235D+01  0.896494D+00 -0.305074D+00
      3   0.551793D-01 -0.124076D+00  0.896494D+00 -0.898859D+00  0.780204D+00
               296           297           298           299           300 
      1  -0.305074D+00  0.780204D+00  0.273599D+01  0.339409D+01  0.101460D+01
      2   0.141076D+00 -0.796430D+00  0.339409D+01  0.622742D+01  0.114542D+01
      3  -0.796430D+00  0.405235D+00  0.101460D+01  0.114542D+01  0.587631D+00
               301           302           303           304           305 
      1   0.228513D+01  0.316816D+01  0.700995D+00  0.518767D+00  0.687566D+00
      2   0.316816D+01  0.108863D+02  0.167321D+01  0.687566D+00  0.911411D+00
      3   0.700995D+00  0.167321D+01  0.106526D+01  0.444544D+00  0.183639D+01
               306           307           308           309           310 
      1   0.444544D+00 -0.312593D+01  0.151465D+01  0.162009D+01  0.678210D+00
      2   0.183639D+01  0.151465D+01 -0.132835D+01 -0.102412D+01 -0.762207D+00
      3   0.680378D+00  0.162009D+01 -0.102412D+01 -0.175294D+01 -0.506715D+00
               311           312           313           314           315 
      1  -0.762207D+00 -0.506715D+00  0.170465D+01 -0.103654D+01 -0.165469D+01
      2   0.183187D+01  0.122882D+01 -0.103654D+01  0.215502D+01  0.155177D+01
      3   0.122882D+01  0.871223D+00 -0.165469D+01  0.155177D+01  0.274812D+01
               316           317           318           319           320 
      1   0.334758D+01  0.139600D+01 -0.166660D+01  0.392809D+00  0.726298D+00
      2   0.139600D+01  0.126544D+01 -0.101548D+01  0.726298D+00  0.162351D+01
      3  -0.166660D+01 -0.101548D+01  0.184616D+01 -0.451639D+00 -0.115836D+01
               321           322           323           324           325 
      1  -0.451639D+00 -0.159009D+01 -0.106383D+01  0.163610D+01 -0.259090D+01
      2  -0.115836D+01 -0.106383D+01 -0.202690D+01  0.152141D+01  0.321447D+01
      3   0.794173D+00  0.163610D+01  0.152141D+01 -0.278342D+01 -0.102583D+01
               326           327           328           329           330 
      1   0.321447D+01 -0.102583D+01  0.208637D+01 -0.297113D+01  0.745273D+00
      2  -0.618522D+01  0.123916D+01 -0.297113D+01  0.108577D+02 -0.181928D+01
      3   0.123916D+01 -0.618130D+00  0.745273D+00 -0.181928D+01  0.112938D+01
               331           332           333           334           335 
      1  -0.521038D+00  0.731549D+00 -0.426857D+00  0.284432D+01  0.993029D+00
      2   0.731549D+00 -0.109486D+01  0.187217D+01  0.993029D+00  0.773339D+00
      3  -0.426857D+00  0.187217D+01 -0.765302D+00 -0.254439D+01 -0.116490D+01
               336           337           338           339           340 
      1  -0.254439D+01  0.916083D+00  0.565133D+00 -0.502590D+00 -0.228549D+01
      2  -0.116490D+01  0.565133D+00  0.567686D+00 -0.431899D+00 -0.334163D+00
      3   0.399792D+01 -0.502590D+00 -0.431899D+00 -0.278221D+00  0.228907D+01
               341           342           343           344           345 
      1  -0.334163D+00  0.228907D+01 -0.257742D+00 -0.464367D+00 -0.206447D+00
      2  -0.660823D+00  0.872636D-01 -0.464367D+00 -0.280539D+00 -0.157673D-01
      3   0.872636D-01 -0.355905D+01 -0.206447D+00 -0.157673D-01  0.857488D+00
               346           347           348           349           350 
      1  -0.107763D+01 -0.734584D+00 -0.103116D+01 -0.533178D+00 -0.187342D+00
      2  -0.734584D+00 -0.327885D+01 -0.329493D+01 -0.187342D+00 -0.232860D+01
      3  -0.103116D+01 -0.329493D+01 -0.432916D+01  0.966000D-01 -0.266249D+01
               351           352           353           354           355 
      1   0.966000D-01 -0.486195D+01  0.296513D+01  0.406769D-01  0.517131D+01
      2  -0.266249D+01  0.296513D+01 -0.326266D+01  0.345605D+00 -0.507212D+01
      3  -0.407014D+01  0.406769D-01  0.345605D+00 -0.243369D+00 -0.279987D+00
               356           357           358           359           360 
      1  -0.507212D+01 -0.279987D+00 -0.212188D+01  0.180477D+01 -0.476873D+00
      2   0.790657D+01 -0.173672D+00  0.180477D+01 -0.215136D+01  0.128495D+01
      3  -0.173672D+00  0.981068D+00 -0.476873D+00  0.128495D+01 -0.651859D+00
               361           362           363           364           365 
      1   0.233738D+01  0.670804D+00  0.889950D+00  0.136916D+01 -0.337190D+00
      2   0.670804D+00  0.551315D+00  0.770333D+00 -0.337190D+00  0.226586D+01
      3   0.889950D+00  0.770333D+00  0.103583D+01  0.128677D+00  0.137821D+01
               366           367           368           369           370 
      1   0.128677D+00  0.207939D+01  0.805305D+00  0.149981D+00 -0.810723D+01
      2   0.137821D+01  0.805305D+00  0.168732D+01  0.233929D+01  0.260097D+01
      3   0.124929D+01  0.149981D+00  0.233929D+01  0.378831D+01  0.405393D+01
               371           372           373           374           375 
      1   0.260097D+01  0.405393D+01  0.380859D+01 -0.230265D+01 -0.231849D+01
      2  -0.146106D+01 -0.177610D+01 -0.230265D+01  0.209771D+01  0.184309D+01
      3  -0.177610D+01 -0.294093D+01 -0.231849D+01  0.184309D+01  0.171652D+01
               376           377           378           379           380 
      1   0.387512D+01 -0.163509D+01 -0.373094D+01  0.212186D+01 -0.941350D+00
      2  -0.163509D+01  0.119278D+01  0.150433D+01 -0.941350D+00  0.819127D+00
      3  -0.373094D+01  0.150433D+01  0.370472D+01  0.997656D+00 -0.575711D+00
               381           382           383           384           385 
      1   0.997656D+00 -0.156797D+01  0.613437D+00 -0.647095D+00  0.141766D+01
      2  -0.575711D+00  0.613437D+00 -0.212204D+01  0.142738D+01 -0.438977D+00
      3   0.433449D+00 -0.647095D+00  0.142738D+01 -0.188687D+01 -0.256781D+00
               386           387           388           389           390 
      1  -0.438977D+00 -0.256781D+00 -0.110218D+02 -0.384325D+01  0.134614D+01
      2   0.138319D+01 -0.138912D+01 -0.384325D+01 -0.204805D+01  0.622926D+00
      3  -0.138912D+01  0.333582D+01  0.134614D+01  0.622926D+00 -0.847770D+00
               391           392           393           394           395 
      1  -0.609589D+01 -0.359190D+01  0.113933D+01  0.305915D+01  0.150759D+01
      2  -0.359190D+01 -0.271068D+01  0.342473D+00  0.150759D+01  0.598746D+00
      3   0.113933D+01  0.342473D+00 -0.471886D+00 -0.181200D+01 -0.490960D+00
               396           397           398           399           400 
      1  -0.181200D+01 -0.450380D+01  0.136877D+01 -0.190780D+01  0.315519D+01
      2  -0.490960D+00  0.136877D+01 -0.108478D+01  0.843362D+00 -0.250064D+01
      3   0.849475D+00 -0.190780D+01  0.843362D+00 -0.112696D+01  0.196867D+01
               401           402           403           404           405 
      1  -0.250064D+01  0.196867D+01 -0.368037D+01  0.169454D+01 -0.235300D+01
      2   0.259829D+01 -0.147836D+01  0.169454D+01 -0.138376D+01  0.150470D+01
      3  -0.147836D+01  0.190227D+01 -0.235300D+01  0.150470D+01 -0.297323D+01
               406           407           408           409           410 
      1   0.415786D+00 -0.100906D+01  0.106385D+01 -0.309647D+01 -0.179650D+01
      2  -0.100906D+01 -0.180376D-01 -0.144424D+00 -0.179650D+01 -0.498359D+01
      3   0.106385D+01 -0.144424D+00  0.126969D+00 -0.376015D+00  0.695123D+00
               411           412           413           414           415 
      1  -0.376015D+00  0.287737D+01 -0.646076D-01 -0.265397D+00 -0.356121D+01
      2   0.695123D+00 -0.646076D-01  0.149736D+01 -0.121692D+01 -0.146489D+01
      3  -0.939679D+00 -0.265397D+00 -0.121692D+01  0.569800D+00 -0.238432D+01
               416           417           418           419           420 
      1  -0.146489D+01 -0.238432D+01 -0.208801D+01 -0.208252D+01 -0.157593D+01
      2  -0.110533D+01 -0.142401D+01 -0.208252D+01 -0.256730D+01 -0.191596D+01
      3  -0.142401D+01 -0.195679D+01 -0.157593D+01 -0.191596D+01 -0.191044D+01
               421           422           423 
      1  -0.475067D+01 -0.245240D+01 -0.384820D+01
      2  -0.245240D+01 -0.235000D+01 -0.324275D+01
      3  -0.384820D+01 -0.324275D+01 -0.592518D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.739051D+01  0.339472D+00 -0.389845D+01  0.308377D+01  0.751213D+01
      2   0.141212D+01  0.280328D+01  0.116521D+02  0.902220D+01  0.478757D+01
      3  -0.182183D+02  0.397051D+01  0.276103D+01  0.159188D+02  0.221689D+02
                 6             7             8             9            10 
      1  -0.546788D+01  0.208327D+01  0.636088D+01 -0.126921D+02  0.462568D+01
      2   0.454523D+01 -0.908555D+01 -0.310355D+01  0.243014D+02 -0.186571D+02
      3  -0.232231D+01  0.132464D+01  0.123485D+01  0.142000D+01  0.702425D+01
                11            12            13            14            15 
      1   0.152357D+02 -0.109502D+01  0.242780D+02 -0.392290D+01 -0.410581D+01
      2  -0.133847D+02  0.274101D+01 -0.363951D+02 -0.561719D+01  0.106790D+02
      3  -0.126614D+02  0.608667D+01  0.562291D+01  0.820659D+01 -0.103316D+02
                16            17            18            19            20 
      1   0.204697D+01 -0.791212D+01  0.100769D+02 -0.696083D+01  0.109531D+02
      2   0.763614D+01  0.129864D+01 -0.178622D+02 -0.270432D+02  0.127156D+01
      3  -0.388259D+01  0.546515D+01  0.222437D+01  0.157024D+02 -0.103735D+02
                21            22            23            24            25 
      1  -0.605325D+01 -0.835022D+00 -0.746846D+00 -0.112484D+01  0.376885D+01
      2  -0.564291D+01  0.278142D+02 -0.106188D+02 -0.142483D+02 -0.318940D+02
      3   0.584278D+01 -0.879219D+00  0.190490D+01  0.115199D+02  0.479554D+01
                26            27            28            29            30 
      1  -0.635894D+01 -0.309215D+01 -0.156263D+01  0.286340D+01 -0.352481D+01
      2  -0.567947D+01  0.575027D+01 -0.734592D+00  0.160139D+01 -0.661468D+01
      3   0.148880D+02 -0.301970D+01  0.386111D+01 -0.625924D+01 -0.280159D+00
                31            32            33            34            35 
      1   0.531682D+00  0.101719D+02 -0.561788D+01 -0.908278D+01  0.145308D+01
      2  -0.305317D+01  0.440471D+01 -0.568572D+01 -0.188208D+02 -0.316114D+01
      3   0.135516D+02 -0.288786D+02 -0.696725D+00  0.510063D+00 -0.632610D+01
                36            37            38            39            40 
      1  -0.680191D+00 -0.385967D+01  0.395565D+00  0.257576D+01  0.536891D+00
      2   0.566360D+00 -0.237948D+01  0.320098D+01  0.190517D+02  0.221853D+01
      3   0.902355D+01 -0.212931D+02 -0.236860D+01 -0.136842D-01  0.151009D+01
                41            42            43            44            45 
      1   0.259311D+01 -0.135723D+01  0.342764D+01  0.354898D+01 -0.233603D+01
      2   0.527984D+01  0.112017D+02  0.197771D+02  0.120449D+02  0.597323D+01
      3   0.155787D+02 -0.560317D+01 -0.153275D+01 -0.504018D+01 -0.142721D+02
                46            47            48            49            50 
      1   0.497578D+01 -0.292974D+00  0.392312D+01 -0.192678D+01 -0.358330D+01
      2   0.613740D+01 -0.138843D+01 -0.195408D+02 -0.199164D+01 -0.428036D+01
      3   0.259220D+02 -0.424997D+01 -0.168548D+01 -0.978014D+00 -0.164252D+02
                51            52            53            54            55 
      1   0.264344D+01  0.725937D+01  0.756737D+01  0.136428D+01  0.129728D+01
      2  -0.130950D+02 -0.401122D+02 -0.173540D+02  0.689022D-01 -0.849761D+01
      3   0.448350D+01  0.442734D+00  0.339736D+01  0.894134D+01  0.168851D+02
                56            57            58            59            60 
      1  -0.108659D+02  0.722334D+00 -0.977847D+01 -0.400821D+01 -0.380761D+01
      2  -0.298156D+01  0.157843D+02  0.158894D+02  0.531038D+01 -0.409356D+01
      3   0.611306D+01 -0.146550D+01  0.263817D+01  0.226270D+01  0.257925D+01
                61            62            63            64            65 
      1  -0.125391D+02  0.852178D+01 -0.465341D+01 -0.766242D+01 -0.515704D+01
      2   0.589659D+01  0.548195D+01  0.644602D+01  0.215983D+02  0.702161D+01
      3   0.235827D+01 -0.581797D+01  0.579381D+01 -0.127994D+02 -0.180426D+01
                66            67            68            69            70 
      1  -0.749288D+00  0.580522D+01 -0.100842D+02  0.290621D+01 -0.738618D+01
      2   0.453291D+01  0.575530D+00  0.416777D+01  0.712422D+01  0.125647D+01
      3  -0.826635D+00  0.218896D+00  0.604205D+01 -0.102764D+02  0.148619D+00
                71            72            73            74            75 
      1   0.105244D+02 -0.697955D+01  0.199433D+02 -0.126661D+02  0.105210D+02
      2   0.790493D+01  0.101464D+02  0.519653D-02 -0.270758D+01  0.188207D+01
      3  -0.628131D+01 -0.175089D+01 -0.201383D+02  0.245293D+01 -0.784525D+01
                76            77            78            79            80 
      1   0.610814D+01  0.386502D+02  0.286267D+01  0.101580D+02  0.715779D+01
      2  -0.826220D+01  0.556907D+01  0.541307D+01  0.380494D+01  0.506683D+01
      3  -0.285334D-01 -0.314712D+02 -0.563367D+01 -0.130013D+02  0.211643D+01
                81            82            83            84            85 
      1   0.131781D+02  0.274823D+01 -0.112339D+01 -0.127135D+02 -0.788958D+01
      2  -0.121811D+01 -0.274194D+01  0.414953D+01  0.610194D+01  0.162885D+01
      3  -0.131373D+02  0.685552D+01 -0.172529D+02 -0.742855D+01 -0.591448D+00
                86            87            88            89            90 
      1  -0.117370D+02 -0.455155D+01 -0.153953D+02  0.730828D+01 -0.103971D+02
      2  -0.521120D+00  0.507932D+00  0.103672D+01  0.114103D+01 -0.313236D+01
      3  -0.502296D+01  0.367382D+01 -0.686969D+01  0.579329D+00  0.150080D+02
                91            92            93            94            95 
      1  -0.277517D+01 -0.309706D+00  0.128582D+02 -0.717067D+01  0.110824D+02
      2  -0.222027D+01 -0.435814D+01  0.554504D+01 -0.560329D+00 -0.762981D+00
      3  -0.755798D+01 -0.174174D+02  0.791687D+01 -0.245901D+00  0.542715D+01
                96            97            98            99           100 
      1  -0.474802D+01  0.160171D+02  0.752423D+01  0.105522D+02 -0.204226D+02
      2  -0.658537D+00  0.177130D-01 -0.171313D+01 -0.322465D+01  0.471849D+01
      3   0.272464D+01  0.590159D+01  0.321858D+00 -0.149305D+02  0.219330D+02
               101           102           103           104           105 
      1  -0.108494D+02 -0.103372D+02  0.471827D+01 -0.376978D+02  0.389938D+01
      2   0.454372D+01  0.192863D+01  0.675808D+01  0.689791D+01 -0.464019D+01
      3   0.194004D+01  0.621139D+01  0.473177D+00  0.310294D+02 -0.536018D+01
               106           107           108           109           110 
      1  -0.102136D+02  0.510488D+01 -0.148965D+02 -0.974347D+00  0.138624D+02
      2   0.487056D+01 -0.546833D+01  0.964672D+00 -0.185638D+02  0.108828D+02
      3   0.138996D+02  0.287375D+01  0.145040D+02 -0.711313D+01 -0.152074D+02
               111           112           113           114           115 
      1  -0.286249D+00  0.251457D+02  0.117152D+01 -0.298316D+01 -0.413145D+01
      2  -0.752382D+00  0.311694D+02 -0.948570D+01 -0.955750D+01  0.657044D+01
      3  -0.565156D+01  0.205990D+01 -0.998227D+01 -0.711188D+01  0.774915D+00
               116           117           118           119           120 
      1  -0.760578D+01 -0.101889D+02  0.992682D+01  0.111021D+02  0.549109D+01
      2  -0.104664D+01 -0.172822D+02 -0.297011D+02 -0.439731D+01 -0.527526D+01
      3   0.516912D+01 -0.171594D+01 -0.143919D+02 -0.117650D+02 -0.511700D+01
               121           122           123           124           125 
      1  -0.262743D+01  0.192234D+01 -0.246029D+01 -0.552937D+01 -0.654253D+01
      2  -0.262160D+02 -0.800669D+01  0.173381D+02 -0.308364D+02  0.716380D+01
      3   0.182262D+01  0.760716D+00  0.109498D+02 -0.236346D+01  0.145579D+02
               126           127           128           129           130 
      1   0.483593D+01 -0.507615D+01 -0.116263D+02 -0.511717D-01 -0.108492D+02
      2   0.800111D+01 -0.100562D+02  0.478616D+01  0.180675D+02 -0.142332D+02
      3   0.164681D+01 -0.131443D+02  0.715699D+01  0.133732D+01  0.399901D+01
               131           132           133           134           135 
      1   0.348648D+01 -0.434586D+01  0.143539D+02  0.786498D+01  0.535632D+01
      2   0.527414D+01  0.361381D+01  0.354167D+01 -0.639287D+01  0.695357D+01
      3  -0.190349D+01  0.197024D+01 -0.391823D+01 -0.525664D+01 -0.519966D+01
               136           137           138           139           140 
      1   0.836031D+01 -0.546201D+01  0.111100D+01  0.695491D+01  0.120281D+02
      2   0.226633D+02 -0.747614D+01  0.439748D+01 -0.170213D+01  0.443306D+01
      3   0.116819D+02 -0.202423D+01  0.747124D+00 -0.861837D+00 -0.760439D+01
               141           142           143           144           145 
      1   0.350307D+01  0.817235D+01  0.110938D+02  0.776222D+01  0.466496D+01
      2  -0.971942D+01  0.258302D+01 -0.855895D+01  0.105129D+02  0.467369D+01
      3  -0.100970D+02 -0.870831D-01 -0.635432D+01  0.134109D+01  0.220274D+01
               146           147           148           149           150 
      1   0.565924D+01  0.225561D+01  0.681628D+01 -0.310382D+00  0.132573D+00
      2   0.561589D+01  0.996202D+01 -0.292727D+01  0.220564D+01  0.794432D+01
      3   0.398113D+01 -0.108342D+02  0.166189D+02 -0.661571D+01 -0.442375D+01
               151           152           153           154           155 
      1  -0.306435D+01  0.102385D+02  0.594177D+01 -0.420540D+01 -0.314549D+01
      2  -0.317122D+01  0.157715D+02  0.157956D+02  0.974004D+01 -0.141951D+02
      3  -0.120897D+02 -0.599700D+01 -0.116939D+02 -0.164538D+02 -0.681852D+01
               156           157           158           159           160 
      1   0.503099D+01 -0.572504D+01  0.151442D+01 -0.548677D+01  0.732332D+01
      2  -0.293012D+01 -0.190409D+02  0.832280D+01 -0.116204D+02 -0.855302D+01
      3   0.180507D+02 -0.503401D+01  0.433039D+01 -0.378140D+01  0.224590D+02
               161           162           163           164           165 
      1  -0.108206D+00  0.282987D+01  0.719073D+00 -0.147432D+01 -0.160898D+01
      2  -0.130197D+02  0.472829D+01 -0.276408D+01  0.193582D+02  0.493255D+01
      3  -0.363710D+01  0.847080D+01  0.185522D+02  0.590371D+01 -0.183699D+02
               166           167           168           169           170 
      1  -0.210187D+01 -0.103564D+01 -0.320734D+01 -0.326940D+01  0.102445D+00
      2   0.300453D+02 -0.379484D+01  0.102424D+02 -0.344238D+01  0.110229D+02
      3   0.186586D+02 -0.376642D+01  0.609368D+01 -0.293984D+02  0.400831D+01
               171           172           173           174           175 
      1  -0.469857D+00 -0.101266D+01  0.348380D+01  0.834763D+00  0.256607D+01
      2  -0.237882D+01  0.548849D+01 -0.984064D+01 -0.543925D+01 -0.733495D+01
      3  -0.115164D+02 -0.201799D+01 -0.118890D+00  0.100862D+02  0.139579D+02
               176           177           178           179           180 
      1  -0.945630D+01  0.206453D+01  0.601346D+01  0.121354D+02  0.253493D+01
      2   0.122459D+02 -0.729104D+01 -0.212490D+02 -0.139501D+02 -0.559653D+01
      3   0.147631D+02 -0.103073D+02  0.120917D+02 -0.986670D+01  0.110332D+02
               181           182           183           184           185 
      1  -0.748612D-01  0.129253D+02  0.993937D+00 -0.254460D+02 -0.119476D+01
      2   0.469738D+02  0.921756D+00  0.288789D+02  0.309800D+01 -0.187853D+01
      3  -0.269861D+01 -0.178187D+02  0.616621D+00  0.671294D+02 -0.111232D+01
               186           187           188           189           190 
      1  -0.443035D+02 -0.554761D+00  0.228628D+02 -0.187065D+01  0.442687D+01
      2   0.780648D-01 -0.503120D+02  0.192933D+01 -0.232596D+02  0.292112D+01
      3   0.869128D+01 -0.138612D+01 -0.169625D+02 -0.832164D+00 -0.102701D+02
               191           192           193           194           195 
      1  -0.531534D+01  0.131376D+01 -0.748315D+01  0.700436D+01 -0.108529D+02
      2  -0.561634D+00  0.591299D+01 -0.822078D+00  0.841052D+00 -0.258279D+01
      3  -0.844157D+01 -0.251923D+01  0.107501D+02  0.707145D+01  0.660793D+01
               196           197           198           199           200 
      1  -0.108330D+01  0.973176D+01 -0.491319D+01 -0.492108D+01 -0.633600D+01
      2  -0.771969D+01 -0.432904D+00  0.509603D+00  0.382737D+01  0.313075D+00
      3  -0.135237D+01  0.524500D+01  0.128577D+01  0.950731D+01 -0.958758D+01
               201           202           203           204           205 
      1  -0.230079D+01 -0.828803D+01 -0.505336D+01 -0.905229D+01  0.777541D+00
      2   0.760548D+01 -0.587253D+00  0.157829D+01  0.245751D+01 -0.651111D+01
      3   0.237803D+01  0.792489D+01 -0.559630D+01  0.687615D+01  0.195699D+01
               206           207           208           209           210 
      1   0.108611D+02  0.560283D+01  0.162777D+01 -0.273419D+01  0.277411D+00
      2  -0.491350D-03 -0.255904D+00  0.103905D+02 -0.422093D+01 -0.885783D+01
      3   0.648316D+01 -0.681377D+00 -0.177856D+01  0.106446D-01  0.321832D+01
               211           212           213           214           215 
      1  -0.164371D+01  0.994307D+00  0.938752D+00  0.160889D+01  0.222854D+01
      2  -0.580600D+01  0.252117D+01  0.165353D+01 -0.118302D+02  0.871489D+00
      3   0.301667D+01 -0.807824D+00 -0.715068D+00  0.358417D+01  0.738517D+00
               216           217           218           219           220 
      1  -0.236129D+01 -0.765881D+00  0.172395D+01 -0.471509D+00  0.232407D+01
      2   0.936461D+01 -0.984105D-01  0.759363D+00 -0.147189D+01  0.205878D+01
      3  -0.234736D+01  0.919675D+00 -0.173762D+01 -0.263681D+00  0.870745D+00
               221           222           223           224           225 
      1  -0.858263D+01  0.544235D+01 -0.213719D+00  0.750096D+01 -0.510517D+01
      2   0.366293D+01 -0.498975D+01 -0.263011D+01 -0.510547D+01  0.758588D+01
      3   0.556297D+01 -0.582719D+01 -0.583464D+00 -0.503704D+01  0.525420D+01
               226           227           228           229           230 
      1   0.386017D+01 -0.291443D-01  0.247799D+01 -0.554022D+00  0.724507D+00
      2  -0.960129D+01  0.466119D-01 -0.649172D+01 -0.246663D+01 -0.441588D+01
      3  -0.214941D+01  0.151016D+00 -0.315759D+01 -0.169106D+01 -0.315462D+01
               231           232           233           234           235 
      1   0.199399D+01 -0.120015D+01  0.138546D+01  0.133951D+02 -0.145806D+01
      2  -0.251885D+01 -0.511933D+01  0.389791D+01 -0.257338D+02  0.223286D+01
      3   0.301863D+01 -0.477641D+01  0.170535D+01 -0.337917D+01 -0.211171D+01
               236           237           238           239           240 
      1  -0.941815D+00  0.289646D+00  0.292209D+00 -0.748972D+01 -0.315499D+01
      2   0.466425D+00 -0.229110D+00 -0.314240D+00 -0.549544D+01  0.324138D+01
      3  -0.904410D+00  0.442755D+00  0.446113D+01 -0.302818D+02  0.209826D+01
               241           242           243           244           245 
      1   0.145147D+00 -0.113268D+01  0.414256D+00  0.197110D+01 -0.870101D+00
      2  -0.589520D+00  0.344296D+01 -0.257165D+01 -0.121246D+02 -0.382890D+01
      3   0.922851D+00 -0.982101D+00 -0.335288D+01 -0.392588D+01 -0.556945D+01
               246           247           248           249           250 
      1  -0.301744D+01  0.411993D+00  0.249953D+00 -0.146596D+01 -0.512401D+01
      2   0.126080D+02 -0.394165D+01 -0.581612D+01  0.698086D+01  0.187820D+02
      3   0.140693D+01 -0.468738D+01 -0.391982D+01  0.552031D+01  0.820022D+00
               251           252           253           254           255 
      1   0.109282D+01  0.464260D+01 -0.373337D+01 -0.974379D+00 -0.258630D+01
      2   0.104270D+02 -0.226095D+02  0.107689D+02  0.430852D+01  0.102461D+02
      3   0.809344D+01 -0.535202D+01 -0.555449D+01 -0.557669D+01 -0.652030D+00
               256           257           258           259           260 
      1  -0.197601D+01 -0.181113D+01 -0.354347D+01 -0.420127D+01 -0.163536D+01
      2   0.555989D+01  0.689880D+01  0.691658D+01  0.157801D+02  0.942671D+01
      3  -0.341523D+01 -0.592992D+01 -0.509154D+01 -0.105205D+01 -0.988055D+01
               261           262           263           264           265 
      1  -0.556782D+01  0.120506D+01  0.118793D+01 -0.118215D+01  0.516715D+00
      2   0.187914D+02 -0.110228D+02 -0.392969D+01 -0.829222D+01 -0.296202D+01
      3  -0.496477D+01  0.119621D+02  0.523594D+01  0.304081D+01  0.670460D+01
               266           267           268           269           270 
      1  -0.103339D+00 -0.131938D+01 -0.342964D-01  0.216139D+01 -0.242124D+01
      2  -0.644478D+01 -0.656241D+01 -0.103523D+02 -0.888084D+01 -0.209508D+02
      3   0.589559D+01  0.605677D+01  0.465325D+01  0.913589D+01  0.977068D+01
               271           272           273           274           275 
      1   0.849670D+00 -0.206487D+01  0.147204D+01 -0.112269D+01  0.782438D+00
      2  -0.990192D+00 -0.569950D+00  0.580466D+01  0.777651D-01 -0.461939D+00
      3   0.992318D+01 -0.125353D+02 -0.384031D+00 -0.953436D+01  0.742057D+01
               276           277           278           279           280 
      1  -0.145767D+01  0.646276D+00  0.299592D+00  0.113735D+00  0.316251D+01
      2  -0.394054D+01  0.400300D+01 -0.410263D+01 -0.145777D+01  0.276523D+01
      3   0.134552D+01 -0.654731D+00  0.480068D+00  0.364402D+01 -0.481742D+01
               281           282           283           284           285 
      1   0.284925D+00  0.408489D+01  0.134935D+01  0.350161D-01  0.804498D+00
      2  -0.105159D+01  0.103233D+02 -0.149363D+01  0.133419D+01  0.193003D+01
      3  -0.373411D+01 -0.153251D+01 -0.560427D+01  0.312475D+01 -0.352624D+01
               286           287           288           289           290 
      1   0.432906D+01  0.228734D+01  0.593843D+01 -0.228365D+01 -0.219945D+01
      2   0.787761D+01 -0.132129D+01  0.152879D+02  0.124677D+01  0.860371D-01
      3  -0.614489D+00 -0.351029D+01 -0.145009D+01  0.779926D+01  0.524910D+01
               291           292           293           294           295 
      1  -0.559213D+00  0.209729D+01 -0.916895D+01 -0.361765D+01 -0.561420D+00
      2   0.728963D-01  0.317461D+01 -0.167222D+01 -0.399877D+01 -0.625807D+00
      3   0.112672D+01 -0.505083D+00  0.348095D+02 -0.292201D+01  0.279922D+01
               296           297           298           299           300 
      1  -0.586246D+00 -0.197245D+01 -0.765183D+00  0.440966D+01 -0.277536D+01
      2  -0.340521D+01 -0.154841D+01 -0.263967D+01 -0.184475D+01  0.554825D+00
      3   0.172186D+01  0.416839D+01  0.115185D+02  0.747042D+01  0.403652D+01
               301           302           303           304           305 
      1  -0.932351D+00  0.579574D+01 -0.615516D+01 -0.157549D+01 -0.477803D+01
      2  -0.200860D+01 -0.598202D+00  0.601624D+00 -0.139551D+01  0.560523D+00
      3   0.112174D+02  0.682647D+01  0.325520D+01  0.234905D+01  0.138893D+01
               306           307           308           309           310 
      1  -0.162892D+00 -0.470227D+01  0.163500D+01  0.777785D+01  0.127825D+01
      2   0.796171D+00  0.777445D+01 -0.190469D+01 -0.213967D+01 -0.291723D+00
      3   0.637473D+00 -0.169286D+02  0.451626D+01  0.719787D+01  0.386364D+01
               311           312           313           314           315 
      1  -0.405005D+01 -0.220515D+01  0.603778D+01 -0.585906D+00 -0.867102D+01
      2   0.157558D+01  0.672898D+00 -0.556628D+01  0.215824D+01  0.307897D+01
      3  -0.262217D+01 -0.253874D+01  0.859454D+01 -0.477290D+01 -0.817802D+01
               316           317           318           319           320 
      1   0.485975D+01  0.142516D+01 -0.803770D+01  0.101049D+01  0.406980D+01
      2   0.743503D+01  0.148459D+01 -0.164495D+01 -0.377126D+00  0.117198D+01
      3   0.175348D+02  0.390980D+01 -0.718836D+01  0.240109D+01  0.243713D+01
               321           322           323           324           325 
      1  -0.200553D+01 -0.562429D+01 -0.723617D+00  0.862715D+01  0.110557D+01
      2  -0.539380D+00 -0.485408D+01 -0.202626D+01  0.261580D+01 -0.276844D+01
      3  -0.219418D+01 -0.747238D+01 -0.469844D+01  0.772519D+01 -0.115268D+02
               326           327           328           329           330 
      1   0.424040D+01  0.246138D+01 -0.119563D+01 -0.547081D+01 -0.621615D+01
      2   0.159806D+01  0.580034D+00  0.221457D+01 -0.605002D+00 -0.380516D+00
      3   0.736249D+01 -0.398279D+01  0.106086D+02 -0.721217D+01  0.362101D+01
               331           332           333           334           335 
      1   0.128877D+01 -0.473516D+01  0.505377D+00 -0.241030D+01 -0.274890D+01
      2  -0.158378D+01 -0.303496D+00  0.685648D+00  0.134530D+02  0.474449D+01
      3  -0.269578D+01  0.141037D+01 -0.752705D+00  0.238649D+01 -0.248538D+00
               336           337           338           339           340 
      1  -0.627444D+00 -0.144187D+01 -0.116317D+01  0.119903D+01 -0.186331D+01
      2  -0.811666D+01  0.632658D+01  0.217090D+01 -0.120838D+01 -0.121285D+02
      3  -0.280088D+01  0.277673D+01  0.410696D+00 -0.481260D+00 -0.332303D+01
               341           342           343           344           345 
      1   0.235470D+01  0.215204D+01  0.105054D+01  0.126184D+01  0.221025D+00
      2  -0.352347D+00  0.862209D+01 -0.741911D-01 -0.105176D+01 -0.169694D+01
      3   0.949973D+00  0.192641D+01 -0.832468D+00 -0.140337D+01  0.267808D+00
               346           347           348           349           350 
      1   0.181603D+01  0.890975D+01  0.566943D+01  0.468094D+00  0.777707D+01
      2  -0.238043D+01  0.359472D+01  0.485220D+01 -0.288745D+01  0.486467D+01
      3   0.120516D+01 -0.548947D+01 -0.551805D+01  0.671548D+00 -0.508848D+01
               351           352           353           354           355 
      1   0.529084D+01  0.155267D+01 -0.295137D+01  0.243322D+01 -0.251128D+01
      2   0.707938D+01  0.233141D+01 -0.250346D+01  0.279879D+01  0.455597D+00
      3  -0.529213D+01 -0.144086D+01 -0.571217D+01  0.202645D+01 -0.372661D+01
               356           357           358           359           360 
      1   0.502287D+01 -0.501197D+01  0.158729D+01 -0.317776D+01  0.218765D+01
      2   0.863938D+00 -0.536636D+01  0.938633D-01 -0.528797D+01  0.141736D+01
      3   0.178790D+02 -0.129032D+01  0.390260D+00 -0.432717D+01  0.430838D+01
               361           362           363           364           365 
      1  -0.798704D+00 -0.141927D+01 -0.266880D+01  0.292809D+00 -0.129824D+01
      2  -0.947818D+01 -0.554201D+01 -0.678963D+01 -0.149546D+01 -0.747574D+01
      3   0.111170D+02  0.450687D+01  0.586773D+01  0.411826D+01  0.759339D+01
               366           367           368           369           370 
      1  -0.296133D+01  0.585840D+00 -0.151348D+01 -0.828024D+01  0.486244D+00
      2  -0.609036D+01 -0.846893D+01 -0.117379D+02 -0.179721D+02 -0.719982D+01
      3   0.615372D+01  0.858720D+01  0.875249D+01  0.110492D+02  0.512817D+01
               371           372           373           374           375 
      1  -0.207638D+01  0.161532D+00 -0.750253D+00  0.246946D+01  0.161855D+00
      2   0.497437D+01  0.108272D+02  0.533092D+01 -0.603076D+01 -0.573310D+01
      3  -0.697339D+01 -0.537181D+01 -0.508256D+01  0.945484D+01  0.659316D+01
               376           377           378           379           380 
      1   0.199876D-01  0.241150D+01 -0.119003D+01 -0.267826D+01  0.346658D+01
      2   0.952037D+01 -0.451618D+01 -0.137531D+02 -0.113360D+02  0.621580D+01
      3  -0.483900D+01  0.537568D+01  0.402922D+01 -0.342179D+01  0.522920D+01
               381           382           383           384           385 
      1  -0.232149D+01  0.361693D+01 -0.673062D+01  0.269770D+01 -0.265565D+01
      2  -0.481978D+01  0.957058D+01 -0.102594D+02  0.117318D+02 -0.608827D+01
      3  -0.385450D+01  0.809089D+01 -0.133302D+02  0.717651D+01 -0.374605D+01
               386           387           388           389           390 
      1   0.511887D+01 -0.406324D+01  0.898019D+00 -0.273848D-02 -0.126152D+01
      2   0.872762D+01 -0.159518D+02 -0.905988D+01 -0.442273D+01  0.777625D+01
      3   0.646553D+01 -0.701119D+01 -0.166639D+02 -0.126035D+02  0.304986D+01
               391           392           393           394           395 
      1   0.114528D+01 -0.210404D+00 -0.166541D+01 -0.560065D+00  0.830631D+00
      2  -0.832420D+01 -0.250267D+01  0.429017D+01  0.867805D+01  0.274155D+01
      3  -0.150031D+02 -0.149409D+02  0.127620D+01  0.703519D+01  0.377181D+01
               396           397           398           399           400 
      1   0.947778D+00 -0.118578D+01  0.888560D+00 -0.473569D-02  0.989159D+00
      2  -0.612847D+01  0.863327D+01 -0.400640D+01  0.637390D+01 -0.869004D+01
      3  -0.193389D+01  0.677300D+01 -0.733385D+01  0.511223D+01 -0.111355D+02
               401           402           403           404           405 
      1  -0.137075D+01 -0.883862D+00 -0.388916D+00  0.234057D+01 -0.245367D-01
      2   0.649241D+01 -0.113024D+02  0.805451D+01 -0.742333D+01  0.159004D+02
      3   0.161462D+02 -0.814418D+01  0.941636D+01 -0.915137D+01  0.823931D+01
               406           407           408           409           410 
      1   0.553273D+01 -0.289497D+01  0.106251D+01 -0.297576D-01  0.878944D+01
      2  -0.377383D+01  0.136414D+01 -0.588908D+00 -0.183207D+01 -0.923799D+01
      3  -0.633758D+01  0.256490D+01 -0.469684D+01 -0.251573D-02 -0.223825D+02
               411           412           413           414           415 
      1  -0.583566D+01  0.152436D+00 -0.503505D+01  0.491122D+01 -0.217027D+01
      2   0.551849D+01  0.147713D+01  0.867294D+01 -0.818874D+01  0.497816D+01
      3   0.611210D+01 -0.760201D+01  0.102508D+02 -0.918960D+01 -0.137366D+01
               416           417           418           419           420 
      1  -0.812678D+00 -0.221872D+01 -0.489987D-01  0.107939D+01 -0.186639D+01
      2   0.387063D+01  0.631150D+01  0.252128D+01  0.437757D+01  0.628845D+01
      3  -0.445838D+01 -0.307605D+01 -0.439554D+01 -0.886212D+01 -0.558801D+01
               421           422           423 
      1  -0.224889D+01 -0.860988D-01 -0.600244D+01
      2   0.578177D+01  0.993183D+01  0.205172D+02
      3  -0.324618D+01 -0.759284D+01 -0.949150D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.383008D+02  0.105949D+02  0.952191D+01  0.192027D+02  0.163765D+02
      2   0.222533D+02 -0.698103D+01 -0.212715D+00 -0.163171D+02 -0.375871D+02
      3   0.160474D+02 -0.361387D+01 -0.930920D+01 -0.288564D+01  0.212106D+02
      4   0.181641D+01 -0.240915D+01  0.866161D+00 -0.653529D+01 -0.451137D+02
      5   0.666554D+01 -0.214372D+01  0.921169D+01 -0.880069D-01  0.283536D+01
      6  -0.237954D+01  0.194851D+00  0.461317D+01  0.334719D+01  0.808429D+01
                 6             7             8             9            10 
      1   0.162844D+01  0.722676D+01  0.220507D+01  0.169191D+02  0.191351D+02
      2   0.525659D+01 -0.252356D+01 -0.106921D+01  0.346437D+01 -0.166229D+02
      3  -0.688502D+01 -0.470320D+01 -0.113586D+01 -0.203834D+02 -0.251226D+01
      4   0.539093D+01  0.597950D+01  0.174757D+01  0.632025D+01  0.269358D+02
      5   0.505715D+01  0.672241D+01  0.161834D+01  0.162570D+02 -0.921380D-01
      6   0.210066D+01  0.158038D+01  0.852362D+00  0.853835D+01 -0.267856D+01
                11            12            13            14            15 
      1   0.911740D+01 -0.358311D+01  0.473375D+02  0.670665D+01 -0.845269D+01
      2   0.118205D+02  0.162240D+01 -0.137858D+02 -0.126846D+02  0.262528D+01
      3  -0.209379D+02  0.196071D+01 -0.335517D+02  0.597796D+01  0.582741D+01
      4   0.143834D+02 -0.690505D+01  0.155296D+02  0.137126D+02  0.111036D+00
      5  -0.403769D+01  0.969446D+01 -0.191692D+01 -0.160923D+01  0.136328D+01
      6   0.634548D+01 -0.207245D+01 -0.686584D+00 -0.214911D+01  0.598462D+01
                16            17            18            19            20 
      1  -0.211953D+02  0.375982D+01  0.698426D+01  0.588208D+02 -0.148187D+02
      2   0.486309D+01 -0.875712D+01 -0.301694D+01 -0.332225D+02  0.157648D+02
      3   0.163322D+02  0.499730D+01 -0.396733D+01 -0.255983D+02 -0.946081D+00
      4  -0.340808D+01 -0.800436D+01  0.889631D+01 -0.243472D+02  0.103106D+02
      5   0.148180D+02  0.653992D+01 -0.808510D+01  0.403501D+02 -0.806649D+01
      6   0.508802D+01  0.244101D+01 -0.404032D+01 -0.829066D+01  0.553548D+01
                21            22            23            24            25 
      1   0.141732D+02 -0.477428D+02  0.366450D+01  0.910726D+01  0.246955D+02
      2  -0.173826D+02  0.166982D+02  0.105821D+02 -0.637828D+01 -0.742932D+01
      3   0.320943D+01  0.310445D+02 -0.142466D+02 -0.272898D+01 -0.172662D+02
      4  -0.710068D+01  0.389486D+01 -0.115934D+02  0.495955D+01  0.151125D+02
      5   0.153451D+02  0.597285D+01  0.661662D+01  0.114649D+01 -0.386770D+00
      6  -0.545248D+01  0.587300D+01 -0.191953D+01 -0.230226D+01  0.105771D+01
                26            27            28            29            30 
      1   0.814056D+01 -0.355346D+01 -0.364174D+02  0.258780D+01 -0.208659D+02
      2  -0.902551D+01 -0.238140D+01  0.282981D+02 -0.839112D+01  0.161525D+02
      3   0.884945D+00  0.593486D+01  0.811939D+01  0.580332D+01  0.471335D+01
      4  -0.472508D+00 -0.252198D+01  0.546426D+01  0.443474D+01  0.115131D+02
      5   0.421079D+00  0.170741D+01 -0.411612D+02  0.109353D+02 -0.364945D+02
      6   0.340852D+00  0.976324D+01  0.961964D+01 -0.195003D+01  0.814582D+01
                31            32            33            34            35 
      1  -0.311503D+01  0.124134D+02  0.368234D+01 -0.318129D+02  0.139574D+02
      2   0.706046D+01 -0.240156D+02 -0.908797D-01  0.259046D+02 -0.102100D+02
      3  -0.394543D+01  0.116022D+02 -0.359146D+01  0.590832D+01 -0.374733D+01
      4  -0.710677D+01  0.363365D+02 -0.356153D+01  0.171801D+02  0.493974D+01
      5   0.679839D+01 -0.583718D+01 -0.719790D+01 -0.583931D+02 -0.122605D+01
      6  -0.369436D+01  0.701625D+01  0.141477D+01  0.124087D+02 -0.329258D+00
                36            37            38            39            40 
      1  -0.385169D+02 -0.799522D+02  0.498200D+02  0.136809D+02  0.542207D+02
      2   0.282959D+02  0.358362D+02 -0.226407D+02 -0.379606D+01 -0.261522D+02
      3   0.102210D+02  0.441160D+02 -0.271793D+02 -0.988485D+01 -0.280686D+02
      4  -0.142400D+00  0.559730D+02 -0.135598D+02 -0.490380D+01 -0.174093D+02
      5  -0.229156D+02  0.147907D+02 -0.523348D+01  0.245312D+02 -0.351557D+01
      6   0.369890D+01 -0.810377D+01  0.175177D+01 -0.477162D+01  0.119842D+01
                41            42            43            44            45 
      1  -0.122448D+02  0.988555D+00  0.473111D+01  0.281436D+01  0.359195D+02
      2   0.789887D+01  0.112162D+01  0.130914D+01  0.139643D+01 -0.175362D+02
      3   0.434588D+01 -0.211017D+01 -0.604025D+01 -0.421079D+01 -0.183833D+02
      4  -0.167976D+02  0.657366D+01 -0.155835D+01  0.618901D+01  0.166998D+02
      5   0.704167D+01  0.173471D+02  0.345006D+02  0.179345D+02  0.446972D+01
      6   0.684646D+00 -0.385173D+01 -0.353607D+01 -0.317711D+01 -0.523664D+01
                46            47            48            49            50 
      1   0.184751D+02 -0.328025D+02 -0.456094D+00 -0.482852D+02 -0.957687D+01
      2  -0.832776D+01  0.185173D+02 -0.613129D+01  0.265834D+02  0.972154D+01
      3  -0.101474D+02  0.142852D+02  0.658738D+01  0.217018D+02 -0.144673D+00
      4  -0.351747D+02 -0.121683D+02  0.362227D+01 -0.175188D+02  0.185335D+02
      5   0.695090D+01  0.598689D+01 -0.417546D+02  0.529113D+01 -0.393958D+01
      6   0.666006D+01  0.132033D+00 -0.108451D+02  0.929466D+00 -0.377217D+01
                51            52            53            54            55 
      1   0.226033D+00  0.955273D+01 -0.588244D+00 -0.551765D+02 -0.448779D+01
      2  -0.421835D+01 -0.143699D+02 -0.459483D+01  0.289868D+02 -0.101513D+02
      3   0.399232D+01  0.481713D+01  0.518307D+01  0.261897D+02  0.146391D+02
      4  -0.406466D+01  0.307420D+01 -0.431657D+01 -0.427347D+02  0.146375D+02
      5  -0.269335D+02 -0.720251D+02 -0.364470D+02  0.131922D+02  0.227141D+01
      6  -0.792566D+01 -0.199058D+02 -0.815487D+01  0.417549D+01 -0.216673D+01
                56            57            58            59            60 
      1   0.809147D+01 -0.214729D+02 -0.360392D+01 -0.178822D+01  0.466950D+01
      2  -0.976528D+01 -0.121054D+02 -0.809880D+00  0.843591D+01  0.433838D+01
      3   0.167381D+01  0.335782D+02  0.441380D+01 -0.664769D+01 -0.900787D+01
      4  -0.237536D+01 -0.992269D-01  0.451634D+01  0.338533D+01 -0.170011D+01
      5  -0.982471D-01  0.232930D+02 -0.195539D+01 -0.871852D+00  0.505233D+01
      6   0.257824D+01  0.730216D+01 -0.297482D+00  0.351891D+01 -0.827811D+01
                61            62            63            64            65 
      1   0.456360D+01 -0.140163D+02 -0.458745D+01 -0.600288D+00 -0.542588D+01
      2  -0.205209D+02  0.885896D+01 -0.265792D+02  0.501149D+01 -0.326216D+01
      3   0.159573D+02  0.515736D+01  0.311666D+02 -0.441120D+01  0.868803D+01
      4  -0.117147D+02  0.381640D+01  0.756122D+00 -0.136623D+01  0.983287D+01
      5   0.265867D+02 -0.396511D+00  0.301351D+02  0.661714D+01 -0.212450D+01
      6  -0.439796D+01 -0.456698D+01  0.160753D+01 -0.132233D+01 -0.450533D+00
                66            67            68            69            70 
      1   0.597947D+01 -0.803137D+01  0.637727D+01 -0.256147D+02 -0.263287D+01
      2  -0.664945D+01 -0.106370D+01 -0.172765D+02 -0.680391D+01 -0.398372D+01
      3   0.669976D+00  0.909507D+01  0.108993D+02  0.324186D+02  0.661660D+01
      4  -0.298136D+01  0.421230D+01  0.142646D+01  0.920103D+00 -0.426188D+01
      5   0.305770D+01  0.315285D+00  0.941842D+00  0.181344D+02  0.324689D+01
      6   0.115989D+02  0.502330D+01  0.576272D+01  0.148772D+02  0.438124D+01
                71            72            73            74            75 
      1  -0.220274D+02 -0.226815D+02  0.478269D-01 -0.336475D+01 -0.407585D+01
      2   0.109567D+02 -0.136566D+02  0.101728D+02 -0.736171D+01  0.226084D+01
      3   0.110707D+02  0.363381D+02 -0.102207D+02  0.107265D+02  0.181502D+01
      4   0.856502D+01  0.877554D+01 -0.753040D+01 -0.236901D+00  0.159588D+02
      5   0.818666D+01  0.213068D+02  0.357156D+01  0.120698D+02 -0.132581D+01
      6   0.170170D+02  0.204146D+02  0.108645D+02  0.610942D+01  0.424937D+01
                76            77            78            79            80 
      1   0.116429D+02 -0.333888D+02 -0.100974D+02 -0.985442D+00  0.483737D+01
      2  -0.409541D+01  0.493243D+02 -0.225643D+00  0.146551D+00  0.179958D+01
      3  -0.754750D+01 -0.159355D+02  0.103230D+02  0.838891D+00 -0.663696D+01
      4   0.713836D+01  0.239726D+02  0.450350D+01  0.896260D+01  0.786787D+01
      5   0.223753D+01  0.516913D+01  0.498451D+01 -0.231444D+01  0.837009D+00
      6   0.263241D+01  0.231791D+02  0.111991D+02  0.647733D+01  0.818247D+01
                81            82            83            84            85 
      1  -0.885952D+01  0.853112D+01  0.182232D+02 -0.526107D+00  0.134846D+02
      2   0.898424D+01 -0.146500D+02 -0.409573D+02 -0.547579D+01 -0.263543D+02
      3  -0.124713D+00  0.611884D+01  0.227342D+02  0.600189D+01  0.128698D+02
      4  -0.332960D+01 -0.166955D+01 -0.235799D+02 -0.137706D+02 -0.153416D+02
      5   0.570270D+01  0.853673D+00 -0.839865D+01 -0.467588D+01 -0.321758D+01
      6  -0.118491D+01 -0.176347D+02 -0.772213D+01  0.156947D+02 -0.327225D+01
                86            87            88            89            90 
      1   0.265664D+02  0.621464D+01 -0.247787D+01 -0.365463D+01  0.372281D+01
      2  -0.535424D+02 -0.120119D+02 -0.821093D+00  0.367187D+01 -0.410783D+01
      3   0.269761D+02  0.579730D+01  0.329897D+01 -0.172455D-01  0.385017D+00
      4  -0.367998D+02 -0.213980D+01 -0.929753D+01 -0.126111D+01  0.103307D+02
      5  -0.261026D+01  0.139218D+00 -0.446814D+01  0.170176D+01  0.306853D+01
      6  -0.224100D+02 -0.470544D+01  0.179823D+02 -0.109468D+02 -0.628884D-01
                91            92            93            94            95 
      1   0.834771D+01 -0.191102D+02  0.569392D+00 -0.139420D+02  0.287993D+02
      2  -0.133320D+02  0.409011D+02 -0.681056D+01  0.253433D+02 -0.539900D+02
      3   0.498432D+01 -0.217909D+02  0.624116D+01 -0.114012D+02  0.251907D+02
      4  -0.251213D+00 -0.215140D+02  0.136322D+02 -0.132294D+02  0.351669D+02
      5   0.153602D+01  0.810822D+01 -0.534046D+01  0.316068D+01 -0.316233D+01
      6   0.175349D+02 -0.863437D+01 -0.153449D+02 -0.455861D+01  0.237233D+02
                96            97            98            99           100 
      1  -0.690187D+01 -0.112763D+01  0.264528D+01  0.358112D+01 -0.466193D+01
      2   0.130928D+02 -0.251473D+01 -0.243814D+01 -0.402135D+01  0.116239D+02
      3  -0.619091D+01  0.364236D+01 -0.207140D+00  0.440231D+00 -0.696198D+01
      4  -0.327138D+01  0.859315D+01 -0.244332D+01 -0.103781D+02  0.117789D+02
      5   0.200375D+00 -0.468696D+01 -0.170680D+01  0.376324D+01  0.186262D+01
      6  -0.545317D+01 -0.175983D+02 -0.110306D+02  0.361023D+00 -0.102451D+02
               101           102           103           104           105 
      1   0.473206D+01 -0.354120D+01 -0.875916D+01 -0.350040D+02  0.101719D+02
      2   0.657262D+01  0.330783D+01  0.318906D+01  0.486770D+02 -0.759393D+00
      3  -0.113047D+02  0.233375D+00  0.557011D+01 -0.136730D+02 -0.941256D+01
      4  -0.234095D+01 -0.149032D+02  0.528417D+01 -0.197081D+02  0.425700D+01
      5  -0.108160D+02 -0.631173D+00 -0.135434D+01  0.427483D+01 -0.340982D+01
      6   0.496547D+01 -0.411094D+01  0.100425D+01 -0.235002D+02  0.102002D+02
               106           107           108           109           110 
      1  -0.232804D+01 -0.284199D+01 -0.936454D+01  0.129281D+02 -0.103209D+02
      2   0.640892D+00 -0.239221D+01  0.671807D+01 -0.954112D+01 -0.136708D+02
      3   0.168714D+01  0.523421D+01  0.264647D+01 -0.338700D+01  0.239918D+02
      4  -0.772059D+01  0.758118D+01  0.266756D+01 -0.307871D+02  0.194405D+02
      5  -0.180462D+01 -0.944171D+00  0.454937D+01  0.451218D+01  0.306285D+01
      6  -0.618140D+01  0.847770D+01 -0.275138D+00  0.499857D+01  0.719856D+01
               111           112           113           114           115 
      1  -0.289590D+01 -0.453157D+02  0.115305D+02  0.455242D+01 -0.291241D+02
      2  -0.128875D+00  0.777031D+01 -0.138384D+02  0.348891D+00  0.481814D+01
      3   0.302477D+01  0.375454D+02  0.230788D+01 -0.490131D+01  0.243059D+02
      4   0.663915D+01  0.215162D+02 -0.166539D+02 -0.192311D+00  0.937052D+01
      5   0.586219D+01 -0.316188D+01 -0.158252D+01  0.941186D-01  0.123390D+02
      6   0.282715D+01 -0.821285D+00  0.208408D+01  0.580489D+01 -0.205803D+01
               116           117           118           119           120 
      1  -0.349493D+01  0.511911D+01  0.600987D+02  0.131410D+02  0.111032D+02
      2   0.105905D+02  0.698822D+00 -0.351868D+02 -0.130902D+02 -0.165046D+02
      3  -0.709554D+01 -0.581793D+01 -0.249119D+02 -0.507997D-01  0.540134D+01
      4  -0.107325D+02 -0.100296D+02  0.225834D+02  0.114946D+02  0.519068D+01
      5  -0.645719D+01 -0.387543D+01  0.355869D+02  0.626728D+01  0.180034D+02
      6   0.459533D+01  0.237530D+01  0.451811D+01  0.654272D+01  0.550857D+01
               121           122           123           124           125 
      1   0.394066D+02  0.484121D+01 -0.895023D+01  0.248660D+02 -0.875298D+01
      2  -0.913847D+01  0.836189D+01  0.508384D+01 -0.654111D+01  0.789595D+01
      3  -0.302681D+02 -0.132031D+02  0.386640D+01 -0.183249D+02  0.857032D+00
      4   0.320349D+01  0.111091D+02  0.442984D+01 -0.165272D+02  0.247743D+01
      5  -0.760065D+01  0.537940D+01 -0.666951D+00  0.343000D+01  0.234206D+01
      6   0.692305D+01  0.145136D+00 -0.935130D+00 -0.197175D+01  0.158120D+00
               126           127           128           129           130 
      1  -0.333661D+01 -0.364526D+01 -0.100718D+02 -0.245707D+02  0.162574D+01
      2  -0.339814D+01 -0.631869D+01  0.109155D+02 -0.118632D+02  0.257596D+01
      3   0.673475D+01  0.996395D+01 -0.843651D+00  0.364339D+02 -0.420171D+01
      4   0.497669D+01 -0.202754D+02 -0.108349D+01 -0.699268D+00  0.343217D+01
      5   0.459843D+01 -0.200674D+00 -0.755805D+00  0.185208D+02  0.249882D+01
      6  -0.595215D+01  0.158816D+01  0.161238D+01 -0.765831D+01  0.278380D+00
               131           132           133           134           135 
      1  -0.239402D+01 -0.326107D+01  0.801658D+01  0.143849D+02 -0.691815D+01
      2   0.837386D+01 -0.389509D+01 -0.239836D+02 -0.878153D+01 -0.282699D+02
      3  -0.597984D+01  0.715616D+01  0.159670D+02 -0.560342D+01  0.351880D+02
      4  -0.193039D+01 -0.133178D+01  0.102373D+02  0.250148D+01 -0.170831D+01
      5  -0.569750D+00 -0.619981D+01  0.262614D+02 -0.484463D+00  0.331475D+02
      6  -0.396725D+01 -0.813375D+01  0.353189D+01 -0.398075D+01 -0.254649D+01
               136           137           138           139           140 
      1  -0.142446D+01  0.518637D+01  0.835677D+01  0.663651D+01  0.799264D+01
      2   0.556146D+01  0.106169D+01 -0.623502D+01 -0.214552D+00 -0.172282D+02
      3  -0.413700D+01 -0.624806D+01 -0.212175D+01 -0.642195D+01  0.923556D+01
      4   0.254150D+01  0.100474D+02  0.339820D+01  0.762554D+01 -0.345388D+01
      5   0.608396D+01  0.220684D+01  0.206416D+01 -0.430259D+00  0.118274D+01
      6   0.143222D+01 -0.135972D+01 -0.948318D+01  0.508968D+01 -0.446858D+01
               141           142           143           144           145 
      1   0.260950D+02 -0.184779D+01  0.223918D+02 -0.228952D+02 -0.186709D+02
      2   0.840243D+01 -0.379447D+01 -0.111954D+02 -0.124189D+02  0.118094D+01
      3  -0.344974D+02  0.564226D+01 -0.111964D+02  0.353141D+02  0.174899D+02
      4   0.724110D+00  0.628475D+01  0.680488D+01 -0.622560D+01  0.196021D+02
      5  -0.152384D+02  0.628816D+00 -0.669973D+01  0.188297D+02  0.914089D+00
      6   0.156690D+02 -0.349478D+01  0.164685D+02 -0.195944D+02  0.178700D-01
               146           147           148           149           150 
      1   0.197819D+01  0.105407D+02  0.421023D+01 -0.176627D+02  0.103476D+02
      2   0.180370D+02 -0.612833D+01  0.221965D+02 -0.134102D+02 -0.478718D+01
      3  -0.200151D+02 -0.441236D+01 -0.264067D+02  0.310729D+02 -0.556046D+01
      4  -0.300292D+02  0.771709D+01 -0.505545D+02  0.463280D+02 -0.287982D+01
      5   0.118534D+02  0.466349D+01  0.142775D+02 -0.285012D+01  0.339964D+01
      6  -0.640444D+01 -0.841730D+01 -0.190152D+01  0.131605D+01 -0.623201D+01
               151           152           153           154           155 
      1   0.140437D+02  0.201294D+02  0.153691D+02 -0.657733D+01  0.225836D+02
      2  -0.131088D+02 -0.194900D+01 -0.779658D+01  0.520059D+01 -0.205770D+02
      3  -0.934918D+00 -0.181804D+02 -0.757253D+01  0.137674D+01 -0.200659D+01
      4   0.189187D+02 -0.132734D+02  0.577338D+01  0.298034D+02 -0.303006D+01
      5   0.269544D+01  0.818694D+01  0.402812D+01  0.297514D+02 -0.347224D+02
      6  -0.525684D+01 -0.824731D+01 -0.866559D+01 -0.110686D+02  0.326070D+01
               156           157           158           159           160 
      1   0.189465D+02  0.324318D+02  0.665551D+01 -0.420127D+02  0.154850D+02
      2  -0.963550D+01 -0.264298D+02  0.148593D+01  0.192195D+02 -0.679586D+01
      3  -0.931096D+01 -0.600198D+01 -0.814144D+01  0.227932D+02 -0.868913D+01
      4  -0.340072D+02 -0.314699D+01 -0.205358D+01  0.181718D+02 -0.410484D+02
      5  -0.229779D+02 -0.474596D+02  0.151101D+02  0.215065D+00 -0.225023D+02
      6   0.991318D+01  0.602672D+01 -0.104367D+01 -0.591338D+01  0.115066D+02
               161           162           163           164           165 
      1  -0.374053D+02 -0.138730D+02 -0.532178D+02 -0.326250D+02 -0.387135D+01
      2   0.152239D+02  0.109246D+02  0.225748D+02  0.152989D+02  0.429635D+01
      3   0.221814D+02  0.294837D+01  0.306430D+02  0.173261D+02 -0.424996D+00
      4   0.169599D+02 -0.202983D+01 -0.369837D+02 -0.210746D+02  0.319815D+02
      5  -0.232056D+01  0.178869D+02 -0.317397D+01  0.314305D+02  0.136856D+01
      6  -0.483564D+01 -0.991519D+00  0.752302D+01  0.581957D+00  0.249003D+01
               166           167           168           169           170 
      1  -0.508078D+02 -0.312955D+02  0.445300D+02 -0.225181D+01  0.450342D+02
      2   0.231034D+02  0.153385D+02 -0.226486D+02  0.249683D+01 -0.240968D+02
      3   0.277044D+02  0.159570D+02 -0.218814D+02 -0.245018D+00 -0.209374D+02
      4  -0.378783D+02  0.366687D+01 -0.105993D+02  0.494105D+02 -0.786728D+01
      5   0.478320D+02 -0.108217D+02  0.214858D+02 -0.936012D+01  0.208517D+02
      6  -0.258351D+01  0.473625D+01 -0.329322D+01  0.389728D+01 -0.326325D+01
               171           172           173           174           175 
      1  -0.466145D+01 -0.168737D+02  0.630839D+01  0.410706D+01  0.493652D+01
      2   0.232024D+01  0.120746D+02  0.122334D+00 -0.234727D+01 -0.478403D+01
      3   0.234121D+01  0.479914D+01 -0.643073D+01 -0.175980D+01 -0.152488D+00
      4   0.199589D+02  0.964249D+00 -0.497074D+01 -0.201982D+02 -0.176568D+02
      5  -0.711728D+01 -0.828084D+01 -0.203376D+02 -0.214534D+02 -0.264763D+02
      6   0.487254D+01 -0.507392D+01 -0.672905D+01 -0.709384D+01 -0.794992D+01
               176           177           178           179           180 
      1  -0.170967D+01 -0.209914D+02  0.996255D+01 -0.188976D+02 -0.105160D+02
      2  -0.557875D+01  0.177053D+02  0.265283D+01  0.204964D+02  0.890814D+01
      3   0.728842D+01  0.328605D+01 -0.126154D+02 -0.159885D+01  0.160785D+01
      4  -0.234501D+02 -0.828634D-02 -0.239241D+02  0.182426D+01 -0.282646D+02
      5  -0.125015D+00 -0.190845D+02 -0.326269D+02 -0.295325D+02 -0.321144D+02
      6  -0.224148D+01 -0.711446D+01 -0.153247D+02 -0.102561D+02 -0.145645D+02
               181           182           183           184           185 
      1  -0.598325D+02  0.118339D+01 -0.586381D+01  0.100194D+01  0.104572D+02
      2   0.404307D+02 -0.935370D+00  0.219126D+02  0.283813D-01 -0.156820D+02
      3   0.194018D+02 -0.248017D+00 -0.160488D+02 -0.103033D+01  0.522479D+01
      4   0.149558D+01 -0.172048D+02  0.134474D+01 -0.975762D+01 -0.885468D+00
      5  -0.297400D+02  0.301208D+00 -0.335683D+02 -0.129883D+01 -0.745530D+01
      6   0.429372D+00 -0.484132D+01 -0.188156D+01 -0.115552D+02 -0.493843D+00
               186           187           188           189           190 
      1   0.137731D+00 -0.145001D+02 -0.117317D+00  0.183210D+02  0.290237D+02
      2  -0.102026D+01  0.249721D+02  0.643578D+00  0.210584D+02 -0.117720D+02
      3   0.882526D+00 -0.104720D+02 -0.526261D+00 -0.393794D+02 -0.172516D+02
      4  -0.571841D+01  0.241688D+01 -0.137440D+02 -0.599110D+00 -0.224002D+02
      5  -0.343036D+00 -0.195251D+02  0.458654D+00 -0.296718D+02 -0.128223D+02
      6  -0.155341D+02 -0.132609D+01 -0.909200D+01  0.447898D+00  0.101117D+02
               191           192           193           194           195 
      1  -0.199110D+01 -0.194701D+01 -0.227724D+01 -0.461840D+02 -0.159916D+02
      2  -0.464577D+01  0.375065D+01 -0.815365D+01  0.745261D+02  0.134743D+02
      3   0.663687D+01 -0.180364D+01  0.104309D+02 -0.283420D+02  0.251731D+01
      4   0.262730D+02  0.993378D+01  0.246872D+02 -0.266059D+02 -0.984879D+01
      5   0.103241D+02  0.196934D+02  0.386866D+01 -0.110829D+02 -0.693806D+01
      6  -0.359832D+01 -0.649564D+01 -0.751657D+01  0.305477D+02  0.298174D+02
               196           197           198           199           200 
      1  -0.803333D+00 -0.173296D+02 -0.236953D+02  0.309295D+02  0.288562D+00
      2   0.600322D+01  0.730399D+01 -0.412269D+01 -0.154192D+02  0.631805D+01
      3  -0.519989D+01  0.100256D+02  0.278180D+02 -0.155104D+02 -0.660661D+01
      4   0.616798D+01 -0.530863D+01 -0.120473D+02  0.202248D+02  0.236604D+02
      5   0.202939D+02 -0.118718D+02 -0.174798D+02 -0.143666D+02 -0.945605D+01
      6  -0.109725D+02  0.318470D+02  0.326321D+02 -0.102004D+02 -0.401914D+01
               201           202           203           204           205 
      1  -0.206373D+01 -0.120563D+00 -0.389913D+02  0.163902D+02  0.610733D-01
      2   0.496068D+01  0.856180D+01  0.611489D+02 -0.130071D+02  0.688239D+01
      3  -0.289695D+01 -0.844124D+01 -0.221575D+02 -0.338317D+01 -0.694346D+01
      4  -0.102309D+02  0.235703D+02  0.261595D+02 -0.107053D+02 -0.661664D+01
      5   0.229292D+02 -0.372627D+01 -0.122649D+02  0.758667D+01  0.230116D+02
      6   0.755034D+01 -0.812168D+01 -0.309580D+02  0.289821D+02  0.122767D+02
               206           207           208           209           210 
      1   0.195574D+02 -0.255642D+02 -0.734331D+01  0.607715D+01  0.180084D+02
      2  -0.912905D+01 -0.983420D+01 -0.745499D+01  0.956137D+00  0.981825D+01
      3  -0.104284D+02  0.353984D+02  0.147983D+02 -0.703329D+01 -0.278266D+02
      4  -0.690752D+01  0.133475D+02 -0.332047D+01  0.132931D+01  0.292573D+01
      5   0.123540D+02 -0.224787D+02 -0.110775D+02  0.271422D+01  0.106614D+02
      6   0.302532D+02 -0.347648D+02  0.799918D+01 -0.717402D+01 -0.131011D+02
               211           212           213           214           215 
      1   0.286720D+01 -0.337568D+01 -0.858320D+00  0.970667D+01 -0.243164D+01
      2  -0.715419D+00  0.339564D+00  0.240198D+01  0.492189D+01 -0.454485D+00
      3  -0.215178D+01  0.303612D+01 -0.154366D+01 -0.146286D+02  0.288612D+01
      4   0.133317D+01 -0.188253D+01 -0.143402D+01  0.149847D+01 -0.198914D+01
      5   0.237161D+01 -0.269322D+01 -0.343471D+01  0.821628D+01 -0.247092D+01
      6  -0.430837D+01  0.404498D+01  0.511310D+01 -0.537184D+01  0.475007D+01
               216           217           218           219           220 
      1  -0.167352D+02 -0.386861D+00 -0.202481D+01  0.457567D+01  0.758044D+00
      2  -0.112411D+02 -0.175577D+00 -0.526529D+00  0.270599D+01  0.315016D+01
      3   0.279763D+02  0.562438D+00  0.255134D+01 -0.728166D+01 -0.390821D+01
      4  -0.253953D+01 -0.235208D+01  0.183064D+01 -0.179051D+01  0.483820D+01
      5  -0.113638D+02  0.119262D+01 -0.268933D+01  0.169508D+01 -0.784703D+01
      6   0.785279D+01 -0.292249D+01  0.766947D+00  0.573336D+00  0.535525D+01
               221           222           223           224           225 
      1  -0.151401D+02  0.179765D+02  0.525949D+00  0.118096D+02 -0.205247D+02
      2   0.721956D+00  0.560789D+01 -0.844552D+00  0.251520D+01 -0.678806D+01
      3   0.144182D+02 -0.235844D+02  0.318603D+00 -0.143248D+02  0.273128D+02
      4  -0.101677D+02  0.100866D+02 -0.261598D+01  0.433791D+01 -0.601739D+01
      5   0.117138D+02 -0.161650D+02  0.354427D+01 -0.745020D+01  0.111523D+02
      6  -0.218109D+02  0.238891D+02 -0.209641D+01  0.157007D+02 -0.204598D+02
               226           227           228           229           230 
      1  -0.359038D+01  0.147879D+00 -0.774971D+01 -0.919872D+01 -0.537810D+01
      2  -0.133595D+01 -0.616362D+00  0.189464D+01  0.631820D+01  0.524061D+01
      3   0.492633D+01  0.468483D+00  0.585507D+01  0.288052D+01  0.137491D+00
      4  -0.459684D+01 -0.111989D+01 -0.703650D+00 -0.692608D+00  0.505932D+01
      5  -0.220352D+01  0.176001D+01 -0.862608D+00  0.895649D+00 -0.340950D+01
      6  -0.636127D+00  0.964698D+00 -0.286583D+01 -0.372929D+00 -0.307842D+01
               231           232           233           234           235 
      1   0.936518D+00 -0.183651D+02  0.100967D+01 -0.154917D+02  0.346659D+01
      2  -0.467739D+01  0.869289D+01 -0.811588D+00 -0.101570D+02  0.431733D+01
      3   0.374087D+01  0.967217D+01 -0.198079D+00  0.256487D+02 -0.778392D+01
      4  -0.429852D+01 -0.894455D+01 -0.576297D+01  0.229567D+01  0.105023D+02
      5  -0.313177D+01  0.892400D+01  0.469233D+01 -0.275590D+02 -0.119434D+01
      6   0.190323D+01  0.970528D+00  0.620996D+01 -0.149078D+02 -0.588969D+00
               236           237           238           239           240 
      1   0.455180D+01  0.127973D+00  0.830595D+01 -0.255612D+02  0.971862D+00
      2   0.807408D+00 -0.519766D+00  0.512707D+01  0.540815D+02 -0.444216D+01
      3  -0.535921D+01  0.391793D+00 -0.134330D+02 -0.285203D+02  0.347030D+01
      4   0.127612D+02 -0.953269D+00  0.222682D+02  0.592760D+02 -0.822325D+01
      5  -0.102277D+01 -0.471574D-01 -0.576302D+01 -0.475773D+01  0.471067D+01
      6  -0.132332D+01  0.717386D-01 -0.415139D+01 -0.124939D+02  0.688703D+01
               241           242           243           244           245 
      1   0.112459D+01  0.464118D+00 -0.532223D+01  0.565775D+02  0.188818D+02
      2  -0.568098D+00  0.154893D+01  0.377790D+01 -0.333868D+02 -0.964999D+01
      3  -0.556489D+00 -0.201305D+01  0.154433D+01 -0.231907D+02 -0.923183D+01
      4   0.139987D+00  0.556218D+00  0.567307D+01  0.313497D+02  0.178282D+02
      5   0.150267D+01  0.601179D+01 -0.221825D+01 -0.442015D+02 -0.131259D+02
      6   0.139907D+01  0.753523D+01 -0.229031D+01 -0.102899D+02 -0.494014D+01
               246           247           248           249           250 
      1  -0.293756D+02  0.185358D+02  0.113090D+02 -0.632837D+01 -0.449634D+02
      2   0.198163D+02 -0.787841D+01 -0.501472D+01  0.294865D+01  0.325964D+02
      3   0.955938D+01 -0.106574D+02 -0.629427D+01  0.337972D+01  0.123670D+02
      4  -0.154630D+02  0.249694D+02  0.155685D+02 -0.164820D+02 -0.267922D+02
      5   0.336229D+02 -0.150798D+02 -0.159453D+02  0.155461D+02  0.588739D+02
      6   0.775550D+01 -0.785331D+01 -0.696942D+01  0.928899D+01  0.148697D+02
               251           252           253           254           255 
      1  -0.107734D+02  0.316515D+02  0.451646D+02  0.183921D+02  0.185715D+02
      2   0.733799D+01 -0.285594D+02 -0.203997D+02 -0.720112D+01 -0.836312D+01
      3   0.343541D+01 -0.309210D+01 -0.247649D+02 -0.111909D+02 -0.102084D+02
      4  -0.204066D+02  0.278602D+02  0.279261D+02  0.173311D+02  0.982795D+01
      5   0.244345D+02 -0.552735D+02  0.210090D+02  0.687416D+01  0.189355D+02
      6   0.104565D+02 -0.151787D+02  0.499534D+01  0.214803D+01  0.476203D+01
               256           257           258           259           260 
      1   0.225613D+02  0.124340D+02  0.515709D+01  0.406366D+02  0.123025D+02
      2  -0.737826D+01 -0.124109D+01  0.680032D+00 -0.177988D+02 -0.248273D+01
      3  -0.151831D+02 -0.111929D+02 -0.583712D+01 -0.228378D+02 -0.981972D+01
      4   0.247298D+02  0.189865D+02  0.136882D+02  0.240633D+02  0.224933D+02
      5   0.827321D+01  0.122368D+02  0.121298D+02  0.344244D+02  0.189661D+02
      6   0.405166D+01  0.524858D+01  0.612209D+01  0.100055D+02  0.653555D+01
               261           262           263           264           265 
      1   0.252521D+02 -0.152904D+02 -0.121038D+02 -0.105466D+02 -0.151154D+02
      2  -0.125175D+02  0.798289D+01  0.548774D+01  0.358447D+01  0.814960D+01
      3  -0.127346D+02  0.730755D+01  0.661602D+01  0.696217D+01  0.696583D+01
      4   0.226111D+02 -0.772537D+01 -0.239205D+01 -0.229460D+00  0.339384D+01
      5   0.319653D+02 -0.572475D+01 -0.693878D+00 -0.917763D+01  0.181822D+01
      6   0.928770D+01  0.420254D+01  0.144021D+01  0.329448D+01  0.180398D+01
               266           267           268           269           270 
      1  -0.465209D+01 -0.305419D+01 -0.141541D+02 -0.755749D+01 -0.165862D+02
      2   0.263273D+01  0.139405D+01  0.582904D+01  0.189380D+01 -0.118845D+01
      3   0.201936D+01  0.166014D+01  0.832505D+01  0.566370D+01  0.177747D+02
      4  -0.598047D+01 -0.714818D+01  0.263332D+00 -0.126343D+02 -0.110806D+02
      5  -0.717574D+01 -0.984566D+01 -0.396480D+00 -0.125876D+02 -0.287961D+02
      6   0.465595D+01  0.696733D+01  0.135157D+01  0.771393D+01  0.108352D+02
               271           272           273           274           275 
      1   0.144666D+03 -0.425784D+02 -0.156763D+02 -0.398384D+02  0.267397D+02
      2  -0.698969D+02  0.181447D+02  0.867743D+01  0.147686D+02 -0.864129D+01
      3  -0.747690D+02  0.244337D+02  0.699891D+01  0.250698D+02 -0.180984D+02
      4  -0.582300D+02  0.321612D+02  0.592978D+01  0.389785D+02 -0.237186D+02
      5  -0.232175D+02  0.635352D+01  0.124502D+02  0.770777D+01 -0.483898D+01
      6   0.736370D+01 -0.395158D+01 -0.283075D+01 -0.455278D+01  0.289003D+01
               276           277           278           279           280 
      1   0.430199D+01 -0.470550D+01  0.977695D+00  0.117157D+02  0.648428D+02
      2  -0.217092D+01  0.345203D+01 -0.144149D+01 -0.682437D+01 -0.423958D+02
      3  -0.213107D+01  0.125347D+01  0.463791D+00 -0.489138D+01 -0.224470D+02
      4  -0.438275D+01  0.274428D+01 -0.155423D+01 -0.888835D+01 -0.176061D+02
      5  -0.671187D+01  0.174694D+02 -0.897656D+01 -0.453151D+01  0.517229D+02
      6   0.306245D+01 -0.379941D+01  0.308809D+01  0.196788D+01 -0.940953D+01
               281           282           283           284           285 
      1  -0.748645D+01  0.281873D+02  0.644876D+01  0.443835D+01 -0.134857D-01
      2   0.440692D+01 -0.211126D+02 -0.650513D+01 -0.878763D+00 -0.279604D+01
      3   0.307953D+01 -0.707467D+01  0.563731D-01 -0.355959D+01  0.280953D+01
      4   0.979436D+01 -0.107691D+02  0.122500D+02 -0.747589D+01  0.805683D+01
      5  -0.982505D+01  0.393027D+02 -0.201724D+00  0.931875D+01  0.281666D+01
      6   0.417349D+01 -0.814109D+01  0.431163D+01 -0.237963D+01  0.424790D+01
               286           287           288           289           290 
      1   0.432878D+02 -0.980096D+01  0.244291D+02 -0.291746D+01 -0.954213D+01
      2  -0.339489D+02  0.642569D+01 -0.280831D+02  0.331991D+01  0.685332D+01
      3  -0.933891D+01  0.337527D+01  0.365392D+01 -0.402441D+00  0.268881D+01
      4  -0.203501D+02  0.102225D+02 -0.124126D+02 -0.560748D+01  0.476416D+00
      5   0.566788D+02 -0.121621D+02  0.540637D+02  0.292493D+01 -0.224198D+00
      6  -0.130139D+02  0.711025D+01 -0.118322D+02 -0.182739D+00 -0.239604D+01
               291           292           293           294           295 
      1   0.291703D+01 -0.129313D+02 -0.169343D+02  0.227487D+01  0.470977D+00
      2  -0.175236D+01  0.172957D+00  0.363677D+02 -0.301006D+01 -0.190115D+01
      3  -0.116467D+01  0.127584D+02 -0.194333D+02  0.735196D+00  0.143017D+01
      4   0.271398D-01  0.184951D+02 -0.537418D+02  0.658374D+01 -0.214175D+01
      5   0.338868D+01 -0.369541D+01  0.918259D+01 -0.723831D+01  0.992650D+01
      6   0.207538D+00  0.313176D+01 -0.119183D+02  0.677533D+01 -0.185394D+01
               296           297           298           299           300 
      1   0.530063D-03  0.238322D+01 -0.564854D+01 -0.212577D+02 -0.420528D+01
      2   0.150509D+01 -0.307572D+00  0.187845D+02  0.452851D+02  0.664045D+01
      3  -0.150562D+01 -0.207565D+01 -0.131359D+02 -0.240273D+02 -0.243517D+01
      4  -0.103291D+01 -0.555185D+01  0.228768D+02  0.336176D+02  0.792462D+01
      5  -0.591772D+01  0.262906D+01  0.502434D+01  0.544981D+01  0.473792D+01
      6   0.544376D+01 -0.208398D+01  0.999786D+01  0.151763D+02  0.606843D+01
               301           302           303           304           305 
      1  -0.118951D+02 -0.449199D+02 -0.813955D+01 -0.132577D+01 -0.480895D+01
      2   0.252941D+02  0.850907D+02  0.134695D+02  0.203005D+01  0.467193D+01
      3  -0.133990D+02 -0.401708D+02 -0.532998D+01 -0.704281D+00  0.137016D+00
      4   0.207309D+02  0.385119D+02  0.659872D+01  0.402054D+01  0.486775D+01
      5   0.325758D+01  0.572591D+01  0.227641D+01  0.432364D+01  0.373534D+01
      6   0.819335D+01  0.253340D+02  0.120854D+02  0.418556D+01  0.166211D+02
               306           307           308           309           310 
      1  -0.717478D+01 -0.140100D+01  0.713499D+01  0.472611D+01  0.260584D+01
      2   0.975169D+01  0.365043D+01 -0.800904D+01 -0.328117D+01 -0.344182D+01
      3  -0.257690D+01 -0.224943D+01  0.874053D+00 -0.144494D+01  0.835986D+00
      4   0.550380D+01 -0.154051D+02  0.115934D+02  0.964396D+01  0.716395D+01
      5   0.284302D+01 -0.784409D+01  0.489736D+01  0.594456D+01  0.185819D+01
      6   0.659134D+01  0.142390D+02 -0.106358D+02 -0.155640D+02 -0.509272D+01
               311           312           313           314           315 
      1  -0.838994D+01 -0.623774D+01  0.474771D+01 -0.109298D+02 -0.105077D+02
      2   0.123341D+02  0.855711D+01 -0.190581D+01  0.110972D+02  0.323093D+01
      3  -0.394411D+01 -0.231937D+01 -0.284190D+01 -0.167335D+00  0.727681D+01
      4  -0.504863D+01 -0.318684D+01  0.948559D+01 -0.517787D+01 -0.892037D+01
      5  -0.248497D+01 -0.211441D+01  0.622056D+01 -0.332197D+01 -0.606960D+01
      6   0.122626D+02  0.962317D+01 -0.129569D+02  0.162027D+02  0.216678D+02
               316           317           318           319           320 
      1   0.586980D+00 -0.685999D+01  0.458921D+01 -0.347040D+01 -0.727821D+01
      2   0.168349D+01  0.728555D+01 -0.258503D+01  0.384105D+01  0.107790D+02
      3  -0.227047D+01 -0.425560D+00 -0.200418D+01 -0.370650D+00 -0.350081D+01
      4   0.161799D+02  0.111564D+02 -0.101923D+02  0.595008D+01  0.475092D+01
      5  -0.882362D+01 -0.506839D+01  0.682964D+01 -0.148571D+01 -0.258249D+01
      6  -0.143596D+02 -0.105257D+02  0.161246D+02 -0.475807D+01 -0.113444D+02
               321           322           323           324           325 
      1   0.578884D+01  0.491408D+01  0.101498D+02 -0.102887D+02 -0.579271D+01
      2  -0.803866D+01 -0.188800D+01 -0.997566D+01  0.252236D+01  0.176556D+02
      3   0.224981D+01 -0.302608D+01 -0.174185D+00  0.776633D+01 -0.118629D+02
      4  -0.305271D+01 -0.929973D+01 -0.538538D+01  0.924387D+01 -0.214221D+02
      5   0.205209D+01  0.651636D+01  0.373589D+01 -0.694973D+01  0.506031D+01
      6   0.898940D+01  0.128820D+02  0.157561D+02 -0.216303D+02 -0.100262D+02
               326           327           328           329           330 
      1   0.222013D+02 -0.468556D+01  0.118734D+02 -0.462908D+02  0.886202D+01
      2  -0.450458D+02  0.710041D+01 -0.237829D+02  0.852586D+02 -0.143322D+02
      3   0.228445D+02 -0.241485D+01  0.119095D+02 -0.389678D+02  0.547019D+01
      4   0.321305D+02 -0.806903D+01  0.190290D+02 -0.360609D+02  0.677253D+01
      5  -0.566604D+01  0.489322D+01 -0.341761D+01  0.579806D+01 -0.227388D+01
      6   0.159469D+02 -0.645954D+01  0.839197D+01 -0.269354D+02  0.127452D+02
               331           332           333           334           335 
      1  -0.166806D+01  0.594518D+01 -0.770221D+01 -0.639135D+01 -0.536375D+01
      2   0.242015D+01 -0.600213D+01  0.100101D+02 -0.799443D+01 -0.673700D+00
      3  -0.752088D+00  0.569513D-01 -0.230792D+01  0.143858D+02  0.603745D+01
      4  -0.403028D+01  0.533474D+01 -0.533598D+01  0.416983D+01  0.186341D+01
      5   0.422118D+01 -0.367123D+01  0.279700D+01 -0.129071D+02 -0.302587D+01
      6  -0.416665D+01  0.170960D+02 -0.740973D+01 -0.788634D+01 -0.665418D+01
               336           337           338           339           340 
      1   0.167245D+02 -0.229429D+01 -0.243637D+01 -0.229720D-01  0.915822D+01
      2   0.100240D+02  0.932241D+00 -0.151116D+00 -0.261088D+01  0.532049D+01
      3  -0.267486D+02  0.136204D+01  0.258749D+01  0.263385D+01 -0.144787D+02
      4  -0.309308D+01  0.189547D+01  0.201491D+01 -0.157228D+01 -0.179735D+01
      5   0.119700D+02 -0.220426D+01 -0.293391D+01  0.290573D+01  0.893809D+01
      6   0.118630D+02 -0.424641D+01 -0.355314D+01  0.434404D+01  0.494135D+01
               341           342           343           344           345 
      1   0.161987D+01 -0.147680D+02 -0.112114D+01  0.211150D+01  0.463524D+01
      2   0.406924D+00 -0.106936D+02 -0.143642D+00  0.701193D+00  0.277496D+01
      3  -0.202679D+01  0.254616D+02  0.126478D+01 -0.281270D+01 -0.741020D+01
      4  -0.183646D+01  0.263476D+01  0.264564D+01  0.186776D+01  0.223167D+01
      5   0.244482D+01 -0.118409D+02  0.152999D+01  0.321931D+01  0.232127D+01
      6   0.427617D+01 -0.625283D+01  0.369271D+01  0.755237D+00 -0.601787D+00
               346           347           348           349           350 
      1  -0.319285D+00 -0.158270D+02 -0.187753D+02  0.472865D+00 -0.122282D+02
      2  -0.315062D+01  0.101424D+01 -0.541265D+01 -0.560393D+00 -0.196995D+01
      3   0.346991D+01  0.148127D+02  0.241879D+02  0.875285D-01  0.141981D+02
      4   0.421477D+01  0.948178D+01  0.926602D+01  0.295683D+01  0.389443D+01
      5   0.742943D+01  0.106410D+02  0.151167D+02  0.333843D+01  0.700414D+01
      6   0.460533D+01  0.219221D+02  0.239487D+02  0.213746D+01  0.160094D+02
               351           352           353           354           355 
      1  -0.206008D+02  0.266526D+02 -0.124694D+02 -0.202836D+00 -0.154165D+02
      2  -0.596462D+01 -0.176787D-01 -0.829751D+01  0.156609D+01 -0.141196D+02
      3   0.265654D+02 -0.266349D+02  0.207669D+02 -0.136325D+01  0.295361D+02
      4   0.564738D+01 -0.363688D+02  0.351990D+02 -0.349645D+01  0.493452D+02
      5   0.950545D+01  0.976965D+00 -0.441415D+01  0.466355D+01 -0.183731D+00
      6   0.204731D+02 -0.201184D+01  0.678344D+00 -0.113793D+01 -0.194476D-01
               356           357           358           359           360 
      1   0.316873D+01  0.190209D+01  0.779452D+01 -0.303607D+01 -0.279562D+01
      2   0.344647D+02 -0.335892D+01  0.198420D+01 -0.877706D+01  0.402091D+01
      3  -0.376335D+02  0.145683D+01 -0.977871D+01  0.118131D+02 -0.122529D+01
      4  -0.655684D+02  0.261386D+01 -0.165915D+02  0.190515D+02 -0.911269D+01
      5   0.498715D+01 -0.701769D+01  0.589450D+01 -0.950659D+01  0.536234D+01
      6  -0.136875D+01  0.626151D+01 -0.354007D+01  0.874919D+01 -0.308458D+01
               361           362           363           364           365 
      1  -0.136760D+02 -0.723408D+01 -0.870989D+01 -0.546181D+01 -0.785817D+01
      2   0.838431D+01  0.342150D+01  0.460716D+01  0.457556D+00  0.100078D+02
      3   0.529174D+01  0.381259D+01  0.410273D+01  0.500425D+01 -0.214962D+01
      4   0.172957D+01  0.261854D+01 -0.967355D+00  0.841899D+01 -0.114357D+02
      5  -0.107157D+01 -0.267458D+01 -0.185140D+01 -0.130738D+00 -0.511976D+01
      6   0.348452D+01  0.409122D+01  0.536985D+01  0.165937D+01  0.829365D+01
               366           367           368           369           370 
      1  -0.815209D+01 -0.140768D+02 -0.141826D+02 -0.171826D+02  0.719693D+02
      2   0.582697D+01  0.869515D+01  0.693182D+01  0.281459D+01 -0.420091D+02
      3   0.232513D+01  0.538162D+01  0.725081D+01  0.143680D+02 -0.299602D+02
      4  -0.504257D+01  0.498479D+00 -0.541486D+01 -0.835084D+01 -0.368803D+02
      5  -0.486920D+01  0.397569D+01 -0.984271D+01 -0.169958D+02 -0.526279D+02
      6   0.885218D+01  0.149742D+01  0.131131D+02  0.182875D+02  0.121700D+02
               371           372           373           374           375 
      1  -0.210550D+02 -0.315741D+02 -0.273437D+02  0.130145D+02  0.143189D+02
      2   0.116474D+02  0.220618D+02  0.146302D+02 -0.534034D+01 -0.910182D+01
      3   0.940757D+01  0.951224D+01  0.127136D+02 -0.767415D+01 -0.521707D+01
      4   0.205088D+02  0.215662D+02  0.294342D+02 -0.244708D+02 -0.204963D+02
      5   0.204835D+02  0.374263D+02  0.275612D+02 -0.199795D+02 -0.198192D+02
      6  -0.654679D+01 -0.821109D+01 -0.106334D+02  0.918240D+01  0.103472D+02
               376           377           378           379           380 
      1  -0.275030D+02  0.100002D+02  0.216661D+02 -0.163125D+02  0.588779D+01
      2   0.223009D+02 -0.751775D+01 -0.209272D+02  0.662790D+01 -0.677170D-01
      3   0.520203D+01 -0.248241D+01 -0.738981D+00  0.968457D+01 -0.582007D+01
      4   0.208337D+02 -0.136659D+02 -0.185884D+02  0.548217D+01 -0.401778D+01
      5   0.435690D+02 -0.169970D+02 -0.410589D+02 -0.506514D+01  0.307810D+01
      6  -0.106651D+02  0.830704D+01  0.105165D+02 -0.278875D+01  0.989297D+00
               381           382           383           384           385 
      1  -0.879521D+01  0.136286D+02 -0.960046D+01  0.112585D+02 -0.110018D+02
      2   0.177970D+01 -0.640092D+01  0.241736D+01 -0.477232D+00  0.495834D+01
      3   0.701551D+01 -0.722768D+01  0.718310D+01 -0.107813D+02  0.604341D+01
      4   0.411258D+01 -0.198607D+01  0.151075D+02 -0.109837D+02  0.354531D+01
      5  -0.527065D+00  0.303046D+01 -0.965317D+01  0.152083D+02  0.612637D+01
      6  -0.100140D+01  0.121531D+01 -0.747363D+01  0.616654D+01 -0.190284D+01
               386           387           388           389           390 
      1   0.884753D+01 -0.949347D+01  0.123282D+03  0.397296D+02 -0.136390D+02
      2   0.270612D+00 -0.716793D+01 -0.585029D+02 -0.170771D+02  0.679226D+01
      3  -0.911814D+01  0.166614D+02 -0.647792D+02 -0.226525D+02  0.684678D+01
      4  -0.922641D+01  0.877501D+01  0.485172D+02  0.276250D+02 -0.823757D+01
      5   0.873117D+01 -0.244693D+02 -0.156015D+02 -0.752657D+01  0.129507D+02
      6   0.637878D+01 -0.539250D+01 -0.478663D+01 -0.165151D+01  0.170910D+01
               391           392           393           394           395 
      1   0.615221D+02  0.333753D+02 -0.101094D+02 -0.314873D+02 -0.136767D+02
      2  -0.257590D+02 -0.116049D+02  0.452551D+01  0.154438D+02  0.654618D+01
      3  -0.357631D+02 -0.217704D+02  0.558389D+01  0.160435D+02  0.713053D+01
      4   0.457029D+02  0.326565D+02 -0.443560D+01 -0.170314D+02 -0.742616D+01
      5  -0.119843D+02 -0.404437D+01  0.629098D+01  0.230380D+02  0.676557D+01
      6  -0.299089D+01 -0.275223D+01  0.314748D+01  0.419128D+01  0.370021D+01
               396           397           398           399           400 
      1   0.164360D+02  0.488822D+02 -0.126736D+02  0.182043D+02 -0.318388D+02
      2  -0.900644D+01 -0.255691D+02  0.626624D+01 -0.107292D+02  0.154815D+02
      3  -0.742955D+01 -0.233131D+02  0.640736D+01 -0.747515D+01  0.163574D+02
      4   0.694834D+01 -0.169413D+02  0.148187D+02 -0.106427D+02  0.313424D+02
      5  -0.105073D+02  0.233338D+02 -0.109209D+02  0.152247D+02 -0.238587D+02
      6  -0.248251D+01 -0.487377D+01  0.253563D+01 -0.275886D+01  0.606764D+01
               401           402           403           404           405 
      1   0.208227D+02 -0.173185D+02  0.346225D+02 -0.145750D+02  0.183827D+02
      2  -0.855728D+01  0.902851D+01 -0.213663D+02  0.922892D+01 -0.145916D+02
      3  -0.122654D+02  0.828997D+01 -0.132562D+02  0.534608D+01 -0.379118D+01
      4  -0.298175D+02  0.170209D+02 -0.198483D+02  0.156036D+02 -0.174301D+02
      5   0.173125D+02 -0.221159D+02  0.303786D+02 -0.174168D+02  0.339638D+02
      6  -0.673958D+01  0.638373D+01 -0.585104D+01  0.589697D+01 -0.646894D+01
               406           407           408           409           410 
      1  -0.228991D+01  0.476830D+01 -0.448262D+01  0.152847D+02 -0.703727D+01
      2   0.327959D+01 -0.298389D+01  0.317972D+01 -0.338080D+01  0.219254D+02
      3  -0.989683D+00 -0.178440D+01  0.130290D+01 -0.119039D+02 -0.148881D+02
      4   0.407012D+01  0.355229D+01 -0.509419D+00  0.172183D+02  0.365246D+02
      5  -0.484766D+01  0.814953D+00  0.207556D+01  0.485566D+01 -0.361498D+01
      6  -0.296736D+01 -0.101768D+01  0.956573D+00  0.230821D+01  0.146196D+00
               411           412           413           414           415 
      1   0.539056D+01 -0.206002D+02  0.466023D+01 -0.148074D+01  0.244531D+02
      2  -0.634045D+01  0.821295D+01 -0.966319D+01  0.343570D+01 -0.171066D+02
      3   0.949895D+00  0.123872D+02  0.500297D+01 -0.195495D+01 -0.734647D+01
      4  -0.419432D+01 -0.192731D+01 -0.130612D+02  0.926688D+01  0.175452D+02
      5   0.779908D+01  0.372707D+01  0.974268D+01 -0.412966D+01  0.284104D+02
      6   0.512359D+01  0.165366D+01  0.408452D+01 -0.140878D+01  0.945147D+01
               416           417           418           419           420 
      1   0.689128D+01  0.134743D+02  0.687928D+01  0.292077D+01  0.314440D+01
      2  -0.388149D+01 -0.970983D+01 -0.219040D+01  0.343049D+00 -0.197806D+01
      3  -0.300979D+01 -0.376446D+01 -0.468888D+01 -0.326382D+01 -0.116634D+01
      4   0.136384D+02  0.153154D+02  0.200441D+02  0.222525D+02  0.174839D+02
      5   0.152632D+02  0.251776D+02  0.167418D+02  0.185482D+02  0.176910D+02
      6   0.605057D+01  0.765122D+01  0.977552D+01  0.113491D+02  0.131694D+02
               421           422           423 
      1   0.220989D+02  0.522520D+01  0.512085D+01
      2  -0.185511D+02 -0.674086D+01 -0.166471D+02
      3  -0.354776D+01  0.151566D+01  0.115262D+02
      4   0.256895D+02  0.212690D+02  0.292769D+02
      5   0.416706D+02  0.302852D+02  0.558350D+02
      6   0.165427D+02  0.169846D+02  0.227818D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 14:09:08 2021, MaxMem= 10737418240 cpu:          873667.0 elap:           54668.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues -- -102.08862-102.08802 -10.46079 -10.46006 -10.45640
 Alpha  occ. eigenvalues --  -10.45611 -10.45583 -10.45467 -10.45398 -10.45359
 Alpha  occ. eigenvalues --  -10.45140 -10.45066 -10.44882 -10.44703 -10.44580
 Alpha  occ. eigenvalues --  -10.44542 -10.43768 -10.43642 -10.43326 -10.43287
 Alpha  occ. eigenvalues --  -10.43218 -10.42969  -9.58912  -9.58850  -7.37819
 Alpha  occ. eigenvalues --   -7.37759  -7.37634  -7.37572  -7.37558  -7.37496
 Alpha  occ. eigenvalues --   -2.28188  -1.41059  -1.40941  -1.40848  -1.05201
 Alpha  occ. eigenvalues --   -1.03895  -0.96948  -0.96195  -0.95078  -0.90860
 Alpha  occ. eigenvalues --   -0.89503  -0.89052  -0.88746  -0.86440  -0.85651
 Alpha  occ. eigenvalues --   -0.84571  -0.81367  -0.77429  -0.76535  -0.75314
 Alpha  occ. eigenvalues --   -0.71540  -0.71374  -0.67989  -0.67784  -0.63860
 Alpha  occ. eigenvalues --   -0.63415  -0.62904  -0.60247  -0.58498  -0.58005
 Alpha  occ. eigenvalues --   -0.57709  -0.56400  -0.56140  -0.55967  -0.55221
 Alpha  occ. eigenvalues --   -0.55139  -0.52595  -0.52373  -0.51206  -0.50492
 Alpha  occ. eigenvalues --   -0.50333  -0.49350  -0.49250  -0.48502  -0.47871
 Alpha  occ. eigenvalues --   -0.47333  -0.46750  -0.46526  -0.46283  -0.44384
 Alpha  occ. eigenvalues --   -0.44039  -0.43337  -0.43131  -0.42635  -0.42380
 Alpha  occ. eigenvalues --   -0.41941  -0.41580  -0.41226  -0.40560  -0.39953
 Alpha  occ. eigenvalues --   -0.38902  -0.34749  -0.33748  -0.33174  -0.32172
 Alpha virt. eigenvalues --   -0.02431  -0.01591  -0.01522  -0.01131  -0.00185
 Alpha virt. eigenvalues --   -0.00136  -0.00059   0.00375   0.00421   0.01154
 Alpha virt. eigenvalues --    0.01497   0.01720   0.01967   0.02120   0.02281
 Alpha virt. eigenvalues --    0.02601   0.02693   0.03626   0.03665   0.03724
 Alpha virt. eigenvalues --    0.04227   0.04304   0.04357   0.04545   0.04831
 Alpha virt. eigenvalues --    0.05042   0.05405   0.05777   0.05917   0.06142
 Alpha virt. eigenvalues --    0.06324   0.06475   0.06807   0.06915   0.07062
 Alpha virt. eigenvalues --    0.07273   0.07511   0.07831   0.08183   0.08419
 Alpha virt. eigenvalues --    0.08953   0.09257   0.09359   0.10167   0.10331
 Alpha virt. eigenvalues --    0.10649   0.10820   0.11009   0.11246   0.11348
 Alpha virt. eigenvalues --    0.11684   0.11819   0.11895   0.12017   0.12286
 Alpha virt. eigenvalues --    0.12441   0.12537   0.12666   0.12813   0.13015
 Alpha virt. eigenvalues --    0.13054   0.13279   0.13430   0.13622   0.14089
 Alpha virt. eigenvalues --    0.14347   0.14445   0.14574   0.14849   0.14883
 Alpha virt. eigenvalues --    0.15218   0.15344   0.15684   0.15821   0.15963
 Alpha virt. eigenvalues --    0.16310   0.16479   0.16921   0.17210   0.17506
 Alpha virt. eigenvalues --    0.17575   0.17970   0.18085   0.18418   0.18491
 Alpha virt. eigenvalues --    0.18991   0.19115   0.19215   0.19298   0.19489
 Alpha virt. eigenvalues --    0.19691   0.19807   0.20005   0.20128   0.20410
 Alpha virt. eigenvalues --    0.20753   0.20907   0.21497   0.21601   0.22000
 Alpha virt. eigenvalues --    0.22368   0.22500   0.22906   0.23064   0.23962
 Alpha virt. eigenvalues --    0.23982   0.24027   0.24146   0.24861   0.25124
 Alpha virt. eigenvalues --    0.25336   0.25649   0.25948   0.26049   0.26369
 Alpha virt. eigenvalues --    0.26501   0.26855   0.26945   0.27099   0.27253
 Alpha virt. eigenvalues --    0.27599   0.27878   0.28140   0.28190   0.28555
 Alpha virt. eigenvalues --    0.28665   0.28784   0.29008   0.29393   0.29768
 Alpha virt. eigenvalues --    0.29965   0.30170   0.30521   0.30745   0.30927
 Alpha virt. eigenvalues --    0.31343   0.31535   0.31696   0.31956   0.32261
 Alpha virt. eigenvalues --    0.32533   0.32687   0.32942   0.33092   0.33332
 Alpha virt. eigenvalues --    0.33663   0.33778   0.34083   0.34232   0.34750
 Alpha virt. eigenvalues --    0.35415   0.35763   0.35868   0.36593   0.36729
 Alpha virt. eigenvalues --    0.37192   0.37369   0.37441   0.37894   0.38301
 Alpha virt. eigenvalues --    0.38602   0.38870   0.39138   0.39354   0.39470
 Alpha virt. eigenvalues --    0.39919   0.40098   0.40556   0.40631   0.40695
 Alpha virt. eigenvalues --    0.41135   0.41562   0.41691   0.41867   0.42438
 Alpha virt. eigenvalues --    0.42769   0.43140   0.43301   0.43478   0.43782
 Alpha virt. eigenvalues --    0.43981   0.44490   0.44938   0.45125   0.45613
 Alpha virt. eigenvalues --    0.45703   0.46016   0.46262   0.46621   0.46696
 Alpha virt. eigenvalues --    0.46991   0.47088   0.47333   0.47417   0.47844
 Alpha virt. eigenvalues --    0.48060   0.48171   0.48958   0.49174   0.49380
 Alpha virt. eigenvalues --    0.50150   0.50228   0.50577   0.50753   0.51203
 Alpha virt. eigenvalues --    0.51243   0.51693   0.51990   0.52203   0.52778
 Alpha virt. eigenvalues --    0.52864   0.53043   0.53337   0.54108   0.54391
 Alpha virt. eigenvalues --    0.54615   0.55269   0.55539   0.55853   0.55919
 Alpha virt. eigenvalues --    0.56365   0.56589   0.56791   0.57388   0.57708
 Alpha virt. eigenvalues --    0.57900   0.58638   0.58969   0.59190   0.59785
 Alpha virt. eigenvalues --    0.60043   0.60153   0.60375   0.60561   0.60586
 Alpha virt. eigenvalues --    0.61166   0.61581   0.61659   0.61869   0.62043
 Alpha virt. eigenvalues --    0.62400   0.62528   0.63034   0.63507   0.63635
 Alpha virt. eigenvalues --    0.63852   0.63976   0.64273   0.64398   0.64569
 Alpha virt. eigenvalues --    0.65142   0.65334   0.65410   0.65834   0.66026
 Alpha virt. eigenvalues --    0.66191   0.66493   0.66647   0.66790   0.67205
 Alpha virt. eigenvalues --    0.67259   0.67559   0.67679   0.68057   0.68515
 Alpha virt. eigenvalues --    0.68608   0.68935   0.69394   0.69769   0.70146
 Alpha virt. eigenvalues --    0.70578   0.70879   0.71160   0.71452   0.71521
 Alpha virt. eigenvalues --    0.72102   0.72365   0.72510   0.72589   0.72931
 Alpha virt. eigenvalues --    0.73418   0.73532   0.73641   0.73900   0.74609
 Alpha virt. eigenvalues --    0.75163   0.75378   0.75861   0.75964   0.76440
 Alpha virt. eigenvalues --    0.76788   0.77031   0.77343   0.77571   0.77832
 Alpha virt. eigenvalues --    0.78148   0.78351   0.78542   0.79121   0.79197
 Alpha virt. eigenvalues --    0.79466   0.79784   0.80176   0.80356   0.80785
 Alpha virt. eigenvalues --    0.81235   0.81459   0.81836   0.82302   0.82573
 Alpha virt. eigenvalues --    0.83061   0.83280   0.83662   0.83811   0.84554
 Alpha virt. eigenvalues --    0.84752   0.85292   0.85408   0.85993   0.86516
 Alpha virt. eigenvalues --    0.86585   0.86898   0.87098   0.87574   0.87678
 Alpha virt. eigenvalues --    0.87850   0.88357   0.88936   0.89081   0.89554
 Alpha virt. eigenvalues --    0.90450   0.90561   0.90622   0.91511   0.91927
 Alpha virt. eigenvalues --    0.92162   0.92919   0.93145   0.93601   0.93735
 Alpha virt. eigenvalues --    0.94396   0.94798   0.95249   0.95999   0.96182
 Alpha virt. eigenvalues --    0.96425   0.96713   0.97253   0.97558   0.98499
 Alpha virt. eigenvalues --    0.98672   0.98822   0.99323   0.99775   1.00282
 Alpha virt. eigenvalues --    1.00772   1.01378   1.01713   1.02205   1.02628
 Alpha virt. eigenvalues --    1.03058   1.03097   1.03952   1.04319   1.04944
 Alpha virt. eigenvalues --    1.05559   1.06176   1.06810   1.07230   1.07328
 Alpha virt. eigenvalues --    1.08082   1.08152   1.08833   1.09313   1.09367
 Alpha virt. eigenvalues --    1.09755   1.11170   1.11296   1.12349   1.12484
 Alpha virt. eigenvalues --    1.13265   1.13637   1.14532   1.14993   1.15496
 Alpha virt. eigenvalues --    1.15786   1.16483   1.17316   1.18334   1.19156
 Alpha virt. eigenvalues --    1.19520   1.19945   1.20291   1.21196   1.21833
 Alpha virt. eigenvalues --    1.22494   1.22878   1.23470   1.23996   1.24942
 Alpha virt. eigenvalues --    1.25817   1.25984   1.26666   1.27038   1.27730
 Alpha virt. eigenvalues --    1.28983   1.29612   1.30163   1.30720   1.31046
 Alpha virt. eigenvalues --    1.32292   1.32601   1.32792   1.33329   1.34016
 Alpha virt. eigenvalues --    1.34961   1.35134   1.36037   1.36796   1.37756
 Alpha virt. eigenvalues --    1.38238   1.39553   1.39672   1.40439   1.41313
 Alpha virt. eigenvalues --    1.41757   1.42229   1.43234   1.44046   1.44548
 Alpha virt. eigenvalues --    1.44979   1.45512   1.46002   1.46482   1.47099
 Alpha virt. eigenvalues --    1.48034   1.48559   1.49077   1.49150   1.49886
 Alpha virt. eigenvalues --    1.50709   1.51453   1.52074   1.52446   1.52655
 Alpha virt. eigenvalues --    1.53345   1.53892   1.54175   1.54508   1.55008
 Alpha virt. eigenvalues --    1.55155   1.56067   1.56401   1.57260   1.57722
 Alpha virt. eigenvalues --    1.58056   1.58668   1.59868   1.60007   1.60419
 Alpha virt. eigenvalues --    1.60839   1.61939   1.62225   1.63004   1.63891
 Alpha virt. eigenvalues --    1.64463   1.65132   1.65655   1.66295   1.66854
 Alpha virt. eigenvalues --    1.68026   1.68348   1.68729   1.69760   1.69829
 Alpha virt. eigenvalues --    1.70330   1.71205   1.71991   1.72494   1.73260
 Alpha virt. eigenvalues --    1.73395   1.73906   1.74931   1.75372   1.75552
 Alpha virt. eigenvalues --    1.75864   1.76249   1.76800   1.77709   1.78023
 Alpha virt. eigenvalues --    1.78769   1.79271   1.79805   1.80208   1.81156
 Alpha virt. eigenvalues --    1.81862   1.82102   1.83133   1.83773   1.84083
 Alpha virt. eigenvalues --    1.84613   1.85044   1.86308   1.86621   1.87235
 Alpha virt. eigenvalues --    1.87934   1.88288   1.89323   1.90031   1.90751
 Alpha virt. eigenvalues --    1.91987   1.92615   1.92746   1.93293   1.93824
 Alpha virt. eigenvalues --    1.94571   1.94730   1.95411   1.96069   1.96319
 Alpha virt. eigenvalues --    1.97338   1.97820   1.98352   1.99252   1.99745
 Alpha virt. eigenvalues --    2.00221   2.00710   2.01044   2.01710   2.02002
 Alpha virt. eigenvalues --    2.02467   2.03395   2.03828   2.04186   2.04619
 Alpha virt. eigenvalues --    2.05181   2.05250   2.06118   2.06289   2.06706
 Alpha virt. eigenvalues --    2.06957   2.07223   2.07963   2.08265   2.09082
 Alpha virt. eigenvalues --    2.09454   2.09651   2.10553   2.10740   2.11551
 Alpha virt. eigenvalues --    2.12303   2.12483   2.13061   2.13379   2.14754
 Alpha virt. eigenvalues --    2.15293   2.15339   2.16170   2.16751   2.17299
 Alpha virt. eigenvalues --    2.17814   2.18465   2.19165   2.19972   2.20138
 Alpha virt. eigenvalues --    2.20540   2.21514   2.22078   2.22636   2.23443
 Alpha virt. eigenvalues --    2.23726   2.24195   2.25167   2.25303   2.25674
 Alpha virt. eigenvalues --    2.27049   2.27985   2.28265   2.28700   2.29393
 Alpha virt. eigenvalues --    2.30439   2.30615   2.31882   2.32528   2.33598
 Alpha virt. eigenvalues --    2.34222   2.34950   2.35126   2.36269   2.36947
 Alpha virt. eigenvalues --    2.37370   2.37967   2.38688   2.39174   2.40330
 Alpha virt. eigenvalues --    2.41165   2.42270   2.42734   2.43170   2.43522
 Alpha virt. eigenvalues --    2.44753   2.45171   2.46366   2.46910   2.47195
 Alpha virt. eigenvalues --    2.49161   2.49711   2.51042   2.51551   2.52317
 Alpha virt. eigenvalues --    2.52997   2.53358   2.54042   2.55045   2.56090
 Alpha virt. eigenvalues --    2.56788   2.57168   2.59083   2.59864   2.60028
 Alpha virt. eigenvalues --    2.61367   2.62835   2.63519   2.63847   2.64639
 Alpha virt. eigenvalues --    2.65558   2.66257   2.67690   2.68656   2.70036
 Alpha virt. eigenvalues --    2.71032   2.72512   2.73013   2.73181   2.75066
 Alpha virt. eigenvalues --    2.75685   2.76445   2.78413   2.79476   2.79935
 Alpha virt. eigenvalues --    2.80885   2.81886   2.82040   2.83174   2.83436
 Alpha virt. eigenvalues --    2.85478   2.88798   2.89314   2.90795   2.92005
 Alpha virt. eigenvalues --    2.93203   2.95692   2.96100   2.96471   2.97116
 Alpha virt. eigenvalues --    2.98258   3.00324   3.01780   3.02745   3.03449
 Alpha virt. eigenvalues --    3.04549   3.06273   3.07390   3.12294   3.12842
 Alpha virt. eigenvalues --    3.30835   3.33266   3.40464   3.51485   3.55470
 Alpha virt. eigenvalues --    3.60914   3.63750   3.73243   3.91163   3.98134
 Alpha virt. eigenvalues --    4.04451   4.09801   4.27444   4.37097   4.59932
 Alpha virt. eigenvalues --    4.62344   4.83487   5.02153   5.31705   7.15843
 Alpha virt. eigenvalues --   31.61873
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   26.427868  -8.916923  -4.687445  -0.786231  -0.031698  -0.135500
     2  C   -8.916923  56.686301  -7.694261  -3.056955  -0.421545  -1.173875
     3  C   -4.687445  -7.694261  48.250920  -1.371065  -0.364667  -0.935236
     4  C   -0.786231  -3.056955  -1.371065  19.896495  -0.066334   0.180485
     5  C   -0.031698  -0.421545  -0.364667  -0.066334   7.418988   0.598376
     6  C   -0.135500  -1.173875  -0.935236   0.180485   0.598376   8.336656
     7  C    0.885261  -1.867513 -19.557174  -4.908429  -1.046851   0.264413
     8  C   -2.246523  -7.512559   1.468116  -2.430174   0.045074  -0.757750
     9  C   -3.024369 -15.521188  -8.753635  -0.136708  -0.021003  -0.000119
    10  C   -0.418007  -3.418913  -1.986460   0.087411  -0.018885   0.233872
    11  C   -0.213556  -2.272679   0.820205  -0.013238   0.033225  -0.326532
    12  C    0.459456  -1.223586  -0.668080   0.123764  -0.060121   0.093436
    13  C    0.205350   0.250159   0.123191  -0.223503   0.046934   0.017336
    14  C    0.247716   0.553694  -0.218282   0.249029  -0.057014  -0.002564
    15  C    0.002515  -1.317717   0.260897  -0.270292   0.080061  -0.050366
    16  C   -0.258919   1.270835   0.027800   0.016890   0.003671  -0.075714
    17  C   -0.000131   0.542320   0.199087  -0.012507   0.031326  -0.003573
    18  C    0.032306   0.150664  -0.092693  -0.007231  -0.001132   0.001912
    19  C    0.015897   0.051428   0.000641   0.001777   0.001200   0.000165
    20  C   -0.006717  -0.052668   0.108449   0.039422  -0.008350   0.000452
    21  Zr  -1.002832  -0.849486   0.150325  -1.801992  -0.663993  -0.101177
    22  Cl  -0.081436   0.090288   0.100021   0.023122  -0.029013  -0.000028
    23  Cl  -0.022296  -0.003478  -0.008692   0.055405  -0.004954   0.003031
    24  H   -0.098242  -0.026211   0.182856   0.033038  -0.002084  -0.006002
    25  H   -0.037471   0.174140   1.343430  -0.501853   0.007719  -0.003569
    26  H    0.228373   0.031363  -0.364386  -0.186550   0.065813  -0.617081
    27  H   -2.052632   0.638800   0.728415   0.172368  -0.022229   0.284812
    28  H   -0.468493   0.916066  -0.102904   0.219935   0.113972  -0.404474
    29  H    0.857384  -0.634191  -0.037299  -0.217362  -0.120134  -0.514414
    30  H   -0.227400   0.003721  -0.506225   0.663849  -0.415432  -0.111418
    31  H    0.188097  -0.049716   0.210057   0.163000  -0.453087   0.087474
    32  H   -0.130290   0.622468   0.152244  -0.836292  -0.125412  -0.019815
    33  H    0.081875  -0.425766   0.584170  -0.197639   0.377614   0.017932
    34  H   -0.344447   1.363796   0.568568   0.031826   0.004433   0.005406
    35  H    0.084721  -0.662295  -0.647640  -0.029605  -0.011485   0.001774
    36  H    0.103775  -0.011556  -0.232401  -0.034811   0.022241   0.040033
    37  H   -0.000608   0.124021   0.074848   0.004589  -0.002739  -0.016882
    38  H   -0.201739   0.122867  -0.007625  -0.015749  -0.000256   0.020469
    39  H   -0.002328  -0.005452   0.002708  -0.037667   0.001509  -0.000876
    40  H   -0.006230   0.083412   0.044086   0.003241   0.000761   0.000917
    41  H   -0.016028   0.065189   0.011269   0.003696   0.005686  -0.001168
    42  H   -0.000414  -0.007740  -0.003894  -0.000593  -0.000189  -0.000130
    43  H    0.006100   0.015438   0.025968   0.011927   0.000989   0.000993
    44  H    0.000948   0.007436   0.001628   0.000378   0.000061   0.000100
    45  H    0.000518  -0.008525   0.001705   0.000451   0.000117  -0.000139
    46  H    0.007589   0.005984   0.016590   0.015946   0.000097   0.001564
    47  H    0.000421  -0.005080   0.006665   0.003993  -0.000408   0.000434
               7          8          9         10         11         12
     1  C    0.885261  -2.246523  -3.024369  -0.418007  -0.213556   0.459456
     2  C   -1.867513  -7.512559 -15.521188  -3.418913  -2.272679  -1.223586
     3  C  -19.557174   1.468116  -8.753635  -1.986460   0.820205  -0.668080
     4  C   -4.908429  -2.430174  -0.136708   0.087411  -0.013238   0.123764
     5  C   -1.046851   0.045074  -0.021003  -0.018885   0.033225  -0.060121
     6  C    0.264413  -0.757750  -0.000119   0.233872  -0.326532   0.093436
     7  C   48.332552 -15.368779   3.243452  -1.666179  -0.107643  -0.010456
     8  C  -15.368779  46.856812 -16.933785   1.845179  -0.723641   0.697456
     9  C    3.243452 -16.933785  50.824338  -3.416645   2.898204  -1.364477
    10  C   -1.666179   1.845179  -3.416645  19.025384  -2.234713   3.252053
    11  C   -0.107643  -0.723641   2.898204  -2.234713  18.750036  -4.216225
    12  C   -0.010456   0.697456  -1.364477   3.252053  -4.216225  63.018823
    13  C   -0.707147   1.851774  -2.105824  -0.939442  -4.453272 -18.881122
    14  C    0.502741  -0.942147  -0.119819   0.121746  -0.518896 -10.619940
    15  C   -1.451778   1.544517   0.342635   0.054108  -2.299910   3.063350
    16  C    1.468226  -2.070033   1.203269  -1.717842   4.063562 -15.485880
    17  C   -0.294350   0.167973  -0.073765  -0.189249  -0.336861  -9.399189
    18  C    0.072890   0.168972  -0.237991   0.051287  -0.234930  -1.048205
    19  C    0.002811  -0.010935  -0.026545   0.018982  -0.110959   0.024254
    20  C   -0.181677   0.174997  -0.109309   0.016627  -0.104188   0.074171
    21  Zr   0.213621   2.478918  -1.988849  -1.996597  -1.149225  -2.694206
    22  Cl  -0.187004   0.076491  -0.020563   0.002585   0.029075  -0.039484
    23  Cl  -0.055589   0.099257  -0.096879   0.045020  -0.014022  -0.009931
    24  H    0.624734  -3.841840   1.905062  -0.015567  -0.120903   0.204181
    25  H   -2.885448   0.821620   0.106737   0.128279   0.002656  -0.040730
    26  H    0.186596  -0.330150   0.245438   0.151126  -0.449496   0.770934
    27  H   -0.205730   0.063441  -0.134443  -0.332386   0.240834  -0.496522
    28  H   -0.036588   0.000546  -0.093806   0.027691   0.016159  -0.046088
    29  H    0.127980  -0.118606   0.189676  -0.028298  -0.008604   0.022950
    30  H   -0.075083  -0.070451   0.079957   0.033323  -0.010494   0.028164
    31  H    0.042368   0.023673  -0.031932  -0.005698   0.000773   0.003444
    32  H   -0.026885  -0.168497   0.244957   0.030881  -0.009096   0.003703
    33  H   -0.031721  -0.237823  -0.091723  -0.041063   0.022511  -0.001833
    34  H   -0.360395  -0.087958  -0.099217  -1.417442  -0.668295   0.235459
    35  H    0.324400   0.723104  -0.933715   0.021397   0.461122  -0.434813
    36  H   -0.063451   0.227800  -0.531535   0.750668  -0.868856  -0.072852
    37  H    0.013057  -0.103686   0.341342  -0.692155  -0.957124  -0.657018
    38  H    0.107224   0.018422   0.234938  -0.174217  -0.225029   1.590526
    39  H   -0.068826   0.074602  -0.050401   0.029244   0.043829   0.207836
    40  H   -0.050304  -0.058009   0.036502   0.061841  -0.305395  -0.120889
    41  H    0.152599   0.053953   0.027075  -0.373230   0.147526   0.302680
    42  H   -0.005582   0.036804  -0.055340   0.031156   0.026095  -0.076341
    43  H    0.010459  -0.161940   0.133455  -0.037404  -0.010523  -0.010036
    44  H   -0.002829   0.002355  -0.002521  -0.001439  -0.008464   0.047044
    45  H    0.003232  -0.012252   0.007484  -0.001112  -0.000686   0.003508
    46  H   -0.037250   0.002936  -0.021214   0.023916  -0.046013  -0.125236
    47  H   -0.011430   0.008986  -0.001956   0.001581   0.016658   0.130541
              13         14         15         16         17         18
     1  C    0.205350   0.247716   0.002515  -0.258919  -0.000131   0.032306
     2  C    0.250159   0.553694  -1.317717   1.270835   0.542320   0.150664
     3  C    0.123191  -0.218282   0.260897   0.027800   0.199087  -0.092693
     4  C   -0.223503   0.249029  -0.270292   0.016890  -0.012507  -0.007231
     5  C    0.046934  -0.057014   0.080061   0.003671   0.031326  -0.001132
     6  C    0.017336  -0.002564  -0.050366  -0.075714  -0.003573   0.001912
     7  C   -0.707147   0.502741  -1.451778   1.468226  -0.294350   0.072890
     8  C    1.851774  -0.942147   1.544517  -2.070033   0.167973   0.168972
     9  C   -2.105824  -0.119819   0.342635   1.203269  -0.073765  -0.237991
    10  C   -0.939442   0.121746   0.054108  -1.717842  -0.189249   0.051287
    11  C   -4.453272  -0.518896  -2.299910   4.063562  -0.336861  -0.234930
    12  C  -18.881122 -10.619940   3.063350 -15.485880  -9.399189  -1.048205
    13  C   64.825031  -9.933077  -0.030994 -13.566276  -7.034736  -1.167606
    14  C   -9.933077  52.765743 -24.292362   3.768357  -2.484344  -0.365960
    15  C   -0.030994 -24.292362  52.880338 -17.595166   2.518946  -0.477917
    16  C  -13.566276   3.768357 -17.595166  50.946780  -4.522600  -0.199541
    17  C   -7.034736  -2.484344   2.518946  -4.522600  28.510778  -0.046265
    18  C   -1.167606  -0.365960  -0.477917  -0.199541  -0.046265   8.625788
    19  C   -0.150923  -1.246044  -0.517314  -0.801089  -0.057194   0.588613
    20  C   -2.234659  -2.106580  -5.250938  -2.179786  -0.759297   0.489439
    21  Zr  -0.839956  -0.535122   0.998118   3.845167  -0.837768  -0.808849
    22  Cl   0.078492   0.008146  -0.116360   0.044587  -0.019742   0.004543
    23  Cl  -0.124624   0.233179  -0.229834   0.048322  -0.069917   0.066087
    24  H    0.106770  -0.049162   0.092308   0.046982  -0.170948  -0.012047
    25  H   -0.005552  -0.003961  -0.055654   0.078829  -0.017845  -0.002867
    26  H    0.010393   0.227030   0.043325  -0.648585   0.000834   0.010658
    27  H    0.073036   0.027798  -0.029879   0.179617  -0.011382   0.002275
    28  H   -0.012778  -0.004648   0.004666   0.020402  -0.001673  -0.000131
    29  H   -0.001604   0.007581  -0.009288  -0.005215  -0.001058   0.000126
    30  H   -0.022512   0.006104   0.009369  -0.050868   0.002859   0.000210
    31  H    0.007551   0.002280   0.000282  -0.002856   0.001453  -0.000030
    32  H   -0.014362   0.012189  -0.011368   0.002305  -0.001857  -0.000234
    33  H    0.006221   0.032204  -0.045633  -0.015635   0.010787  -0.001496
    34  H    0.092028   0.092865  -0.015174  -0.091490   0.014522  -0.008509
    35  H    0.291565  -0.231454   0.006360   0.107646  -0.184126   0.012598
    36  H   -0.862536  -0.590424   0.446927   0.455885   0.007606  -0.055660
    37  H    1.163619   0.603323  -0.495604   0.197458  -0.303045   0.072583
    38  H    0.608891  -0.154049   0.719226  -3.683413   0.011067  -0.007717
    39  H   -0.266606   1.988656  -3.512318   0.938253  -0.084627   0.009493
    40  H   -0.858242   0.655862  -0.082281   0.050984   0.003693  -0.116763
    41  H    1.555778  -0.655758   0.099320  -0.242672  -1.306942   0.373107
    42  H    0.981195   0.065047  -0.090895   0.040230  -0.166688  -0.746152
    43  H   -1.184846  -0.158374   0.002756  -0.109386   0.844357  -0.341145
    44  H   -0.193061   0.515086   0.082134  -0.029179   0.210572   0.299780
    45  H    0.048298  -0.357650  -0.065205  -0.118545  -0.032317  -0.269160
    46  H   -0.471701  -0.341334  -0.252699  -0.243403  -0.177613  -0.004897
    47  H    0.642358   0.658013   0.182791  -0.144114   0.041689  -0.010656
              19         20         21         22         23         24
     1  C    0.015897  -0.006717  -1.002832  -0.081436  -0.022296  -0.098242
     2  C    0.051428  -0.052668  -0.849486   0.090288  -0.003478  -0.026211
     3  C    0.000641   0.108449   0.150325   0.100021  -0.008692   0.182856
     4  C    0.001777   0.039422  -1.801992   0.023122   0.055405   0.033038
     5  C    0.001200  -0.008350  -0.663993  -0.029013  -0.004954  -0.002084
     6  C    0.000165   0.000452  -0.101177  -0.000028   0.003031  -0.006002
     7  C    0.002811  -0.181677   0.213621  -0.187004  -0.055589   0.624734
     8  C   -0.010935   0.174997   2.478918   0.076491   0.099257  -3.841840
     9  C   -0.026545  -0.109309  -1.988849  -0.020563  -0.096879   1.905062
    10  C    0.018982   0.016627  -1.996597   0.002585   0.045020  -0.015567
    11  C   -0.110959  -0.104188  -1.149225   0.029075  -0.014022  -0.120903
    12  C    0.024254   0.074171  -2.694206  -0.039484  -0.009931   0.204181
    13  C   -0.150923  -2.234659  -0.839956   0.078492  -0.124624   0.106770
    14  C   -1.246044  -2.106580  -0.535122   0.008146   0.233179  -0.049162
    15  C   -0.517314  -5.250938   0.998118  -0.116360  -0.229834   0.092308
    16  C   -0.801089  -2.179786   3.845167   0.044587   0.048322   0.046982
    17  C   -0.057194  -0.759297  -0.837768  -0.019742  -0.069917  -0.170948
    18  C    0.588613   0.489439  -0.808849   0.004543   0.066087  -0.012047
    19  C    7.730148   0.717455  -0.634689   0.006393   0.017428  -0.005802
    20  C    0.717455  18.367687  -1.817077  -0.018184   0.129014  -0.024976
    21  Zr  -0.634689  -1.817077  22.210506   0.359590   0.217190  -0.204797
    22  Cl   0.006393  -0.018184   0.359590  16.925127  -0.126472   0.008013
    23  Cl   0.017428   0.129014   0.217190  -0.126472  16.923885  -0.002075
    24  H   -0.005802  -0.024976  -0.204797   0.008013  -0.002075   3.545591
    25  H   -0.006679  -0.025465   0.036779  -0.002636   0.003838   0.006222
    26  H    0.011519   0.057781  -0.566959   0.005275  -0.001377  -0.017697
    27  H    0.001793   0.002686   0.350758  -0.007232   0.000514   0.012777
    28  H   -0.000136  -0.001323  -0.005786  -0.004870   0.000347   0.002536
    29  H    0.000042   0.001094   0.012828   0.001960   0.000284  -0.001586
    30  H    0.000257   0.000358   0.072141  -0.014612   0.000904   0.002892
    31  H    0.000163   0.000418  -0.031317   0.010093  -0.000164  -0.000945
    32  H    0.000435   0.001779   0.100084  -0.013380  -0.001574   0.009202
    33  H    0.000946   0.004578  -0.238933  -0.021535   0.000763  -0.013724
    34  H   -0.002918   0.004306   0.221530   0.001429  -0.000170   0.061140
    35  H    0.017963  -0.019920   0.068933  -0.000495   0.004265  -0.158637
    36  H   -0.012839  -0.051346   0.196579   0.005354  -0.002087  -0.015089
    37  H   -0.007626   0.047414   0.156050  -0.001296   0.001144   0.007716
    38  H   -0.024943  -0.088835  -0.335956  -0.006404   0.009720   0.015659
    39  H   -0.004592  -0.080790  -0.043755   0.027077  -0.010111  -0.000229
    40  H   -0.027909  -0.062036   0.386462  -0.000592  -0.003068   0.012036
    41  H   -0.057775   0.108878  -0.598779  -0.001291  -0.004036  -0.079367
    42  H    0.071405   0.067060   0.057687   0.000500  -0.005693   0.006594
    43  H   -0.048004   0.113922  -0.048986  -0.002680   0.025874  -0.003220
    44  H   -0.626835  -0.130836  -0.087492   0.000140  -0.005198  -0.000239
    45  H   -0.233469   0.434726   0.081263   0.000117   0.003796  -0.005687
    46  H    0.162796   1.225945  -0.260828  -0.000708   0.015308  -0.012743
    47  H    0.071356  -1.774368   0.104999  -0.001810  -0.009727   0.002132
              25         26         27         28         29         30
     1  C   -0.037471   0.228373  -2.052632  -0.468493   0.857384  -0.227400
     2  C    0.174140   0.031363   0.638800   0.916066  -0.634191   0.003721
     3  C    1.343430  -0.364386   0.728415  -0.102904  -0.037299  -0.506225
     4  C   -0.501853  -0.186550   0.172368   0.219935  -0.217362   0.663849
     5  C    0.007719   0.065813  -0.022229   0.113972  -0.120134  -0.415432
     6  C   -0.003569  -0.617081   0.284812  -0.404474  -0.514414  -0.111418
     7  C   -2.885448   0.186596  -0.205730  -0.036588   0.127980  -0.075083
     8  C    0.821620  -0.330150   0.063441   0.000546  -0.118606  -0.070451
     9  C    0.106737   0.245438  -0.134443  -0.093806   0.189676   0.079957
    10  C    0.128279   0.151126  -0.332386   0.027691  -0.028298   0.033323
    11  C    0.002656  -0.449496   0.240834   0.016159  -0.008604  -0.010494
    12  C   -0.040730   0.770934  -0.496522  -0.046088   0.022950   0.028164
    13  C   -0.005552   0.010393   0.073036  -0.012778  -0.001604  -0.022512
    14  C   -0.003961   0.227030   0.027798  -0.004648   0.007581   0.006104
    15  C   -0.055654   0.043325  -0.029879   0.004666  -0.009288   0.009369
    16  C    0.078829  -0.648585   0.179617   0.020402  -0.005215  -0.050868
    17  C   -0.017845   0.000834  -0.011382  -0.001673  -0.001058   0.002859
    18  C   -0.002867   0.010658   0.002275  -0.000131   0.000126   0.000210
    19  C   -0.006679   0.011519   0.001793  -0.000136   0.000042   0.000257
    20  C   -0.025465   0.057781   0.002686  -0.001323   0.001094   0.000358
    21  Zr   0.036779  -0.566959   0.350758  -0.005786   0.012828   0.072141
    22  Cl  -0.002636   0.005275  -0.007232  -0.004870   0.001960  -0.014612
    23  Cl   0.003838  -0.001377   0.000514   0.000347   0.000284   0.000904
    24  H    0.006222  -0.017697   0.012777   0.002536  -0.001586   0.002892
    25  H    2.749760   0.004723  -0.018571  -0.002151   0.009847   0.000734
    26  H    0.004723   3.955584  -0.982239  -0.375882   0.317510  -0.007924
    27  H   -0.018571  -0.982239   3.085020   0.084058  -0.293914  -0.007013
    28  H   -0.002151  -0.375882   0.084058   2.131382  -0.659749  -0.067396
    29  H    0.009847   0.317510  -0.293914  -0.659749   2.496021   0.158976
    30  H    0.000734  -0.007924  -0.007013  -0.067396   0.158976   2.735199
    31  H    0.000892   0.022691   0.029475  -0.087845  -0.109504  -0.662803
    32  H    0.031941  -0.031578   0.024248   0.026665  -0.026773   0.197952
    33  H   -0.048419   0.026633  -0.010732   0.020412   0.003368  -0.284226
    34  H   -0.011013   0.017989   0.029271  -0.001034   0.003299   0.002189
    35  H    0.019721  -0.015581   0.004333   0.000530  -0.003769   0.000929
    36  H    0.005963  -0.081592  -0.105848  -0.002029   0.009207   0.002292
    37  H   -0.000865   0.004086   0.045665   0.000860  -0.002045  -0.001490
    38  H   -0.000542  -0.100248   0.040300   0.008815  -0.009309   0.000821
    39  H    0.005370   0.008259  -0.004366  -0.001316   0.000378  -0.002824
    40  H   -0.003075  -0.002907  -0.000288  -0.000010   0.000035   0.000747
    41  H    0.003811   0.006548  -0.001376  -0.000350  -0.000206  -0.002263
    42  H   -0.001736  -0.000139   0.000033   0.000001  -0.000027  -0.000005
    43  H   -0.000452   0.001412   0.001276   0.000033   0.000063   0.000880
    44  H   -0.000520   0.000517   0.000067  -0.000004   0.000003   0.000073
    45  H   -0.000012   0.001562   0.000182  -0.000036   0.000008  -0.000071
    46  H   -0.005743   0.012471   0.000621  -0.000255   0.000440   0.000837
    47  H   -0.000921  -0.001003   0.000002  -0.000003   0.000039   0.000338
              31         32         33         34         35         36
     1  C    0.188097  -0.130290   0.081875  -0.344447   0.084721   0.103775
     2  C   -0.049716   0.622468  -0.425766   1.363796  -0.662295  -0.011556
     3  C    0.210057   0.152244   0.584170   0.568568  -0.647640  -0.232401
     4  C    0.163000  -0.836292  -0.197639   0.031826  -0.029605  -0.034811
     5  C   -0.453087  -0.125412   0.377614   0.004433  -0.011485   0.022241
     6  C    0.087474  -0.019815   0.017932   0.005406   0.001774   0.040033
     7  C    0.042368  -0.026885  -0.031721  -0.360395   0.324400  -0.063451
     8  C    0.023673  -0.168497  -0.237823  -0.087958   0.723104   0.227800
     9  C   -0.031932   0.244957  -0.091723  -0.099217  -0.933715  -0.531535
    10  C   -0.005698   0.030881  -0.041063  -1.417442   0.021397   0.750668
    11  C    0.000773  -0.009096   0.022511  -0.668295   0.461122  -0.868856
    12  C    0.003444   0.003703  -0.001833   0.235459  -0.434813  -0.072852
    13  C    0.007551  -0.014362   0.006221   0.092028   0.291565  -0.862536
    14  C    0.002280   0.012189   0.032204   0.092865  -0.231454  -0.590424
    15  C    0.000282  -0.011368  -0.045633  -0.015174   0.006360   0.446927
    16  C   -0.002856   0.002305  -0.015635  -0.091490   0.107646   0.455885
    17  C    0.001453  -0.001857   0.010787   0.014522  -0.184126   0.007606
    18  C   -0.000030  -0.000234  -0.001496  -0.008509   0.012598  -0.055660
    19  C    0.000163   0.000435   0.000946  -0.002918   0.017963  -0.012839
    20  C    0.000418   0.001779   0.004578   0.004306  -0.019920  -0.051346
    21  Zr  -0.031317   0.100084  -0.238933   0.221530   0.068933   0.196579
    22  Cl   0.010093  -0.013380  -0.021535   0.001429  -0.000495   0.005354
    23  Cl  -0.000164  -0.001574   0.000763  -0.000170   0.004265  -0.002087
    24  H   -0.000945   0.009202  -0.013724   0.061140  -0.158637  -0.015089
    25  H    0.000892   0.031941  -0.048419  -0.011013   0.019721   0.005963
    26  H    0.022691  -0.031578   0.026633   0.017989  -0.015581  -0.081592
    27  H    0.029475   0.024248  -0.010732   0.029271   0.004333  -0.105848
    28  H   -0.087845   0.026665   0.020412  -0.001034   0.000530  -0.002029
    29  H   -0.109504  -0.026773   0.003368   0.003299  -0.003769   0.009207
    30  H   -0.662803   0.197952  -0.284226   0.002189   0.000929   0.002292
    31  H    2.028933  -0.207247   0.041839  -0.000875  -0.001161  -0.003476
    32  H   -0.207247   2.170645  -0.821199   0.003183   0.000319  -0.002808
    33  H    0.041839  -0.821199   2.496089  -0.000124  -0.005462  -0.000086
    34  H   -0.000875   0.003183  -0.000124   2.557810  -0.945789  -0.181251
    35  H   -0.001161   0.000319  -0.005462  -0.945789   3.664234   0.276226
    36  H   -0.003476  -0.002808  -0.000086  -0.181251   0.276226   4.073906
    37  H    0.000321  -0.000025   0.000930   0.132267  -0.204523  -1.064382
    38  H    0.000328   0.001327  -0.011460   0.008547  -0.016894  -0.221187
    39  H    0.000040  -0.001262  -0.004855  -0.000302   0.006243   0.023041
    40  H    0.000027   0.000154   0.000601   0.015646  -0.017776   0.009419
    41  H    0.000625  -0.002632   0.006250   0.014542  -0.070210  -0.022389
    42  H   -0.000015   0.000038  -0.000126   0.002365   0.001215  -0.001572
    43  H    0.000094   0.000588   0.001797  -0.004358   0.005532  -0.004838
    44  H    0.000016   0.000047   0.000141   0.000013  -0.003996  -0.001207
    45  H    0.000018   0.000003   0.000244  -0.000564   0.004419  -0.001330
    46  H    0.000215   0.000575   0.001370   0.001335  -0.001673  -0.006591
    47  H    0.000032   0.000206   0.000874   0.000467  -0.000760  -0.001476
              37         38         39         40         41         42
     1  C   -0.000608  -0.201739  -0.002328  -0.006230  -0.016028  -0.000414
     2  C    0.124021   0.122867  -0.005452   0.083412   0.065189  -0.007740
     3  C    0.074848  -0.007625   0.002708   0.044086   0.011269  -0.003894
     4  C    0.004589  -0.015749  -0.037667   0.003241   0.003696  -0.000593
     5  C   -0.002739  -0.000256   0.001509   0.000761   0.005686  -0.000189
     6  C   -0.016882   0.020469  -0.000876   0.000917  -0.001168  -0.000130
     7  C    0.013057   0.107224  -0.068826  -0.050304   0.152599  -0.005582
     8  C   -0.103686   0.018422   0.074602  -0.058009   0.053953   0.036804
     9  C    0.341342   0.234938  -0.050401   0.036502   0.027075  -0.055340
    10  C   -0.692155  -0.174217   0.029244   0.061841  -0.373230   0.031156
    11  C   -0.957124  -0.225029   0.043829  -0.305395   0.147526   0.026095
    12  C   -0.657018   1.590526   0.207836  -0.120889   0.302680  -0.076341
    13  C    1.163619   0.608891  -0.266606  -0.858242   1.555778   0.981195
    14  C    0.603323  -0.154049   1.988656   0.655862  -0.655758   0.065047
    15  C   -0.495604   0.719226  -3.512318  -0.082281   0.099320  -0.090895
    16  C    0.197458  -3.683413   0.938253   0.050984  -0.242672   0.040230
    17  C   -0.303045   0.011067  -0.084627   0.003693  -1.306942  -0.166688
    18  C    0.072583  -0.007717   0.009493  -0.116763   0.373107  -0.746152
    19  C   -0.007626  -0.024943  -0.004592  -0.027909  -0.057775   0.071405
    20  C    0.047414  -0.088835  -0.080790  -0.062036   0.108878   0.067060
    21  Zr   0.156050  -0.335956  -0.043755   0.386462  -0.598779   0.057687
    22  Cl  -0.001296  -0.006404   0.027077  -0.000592  -0.001291   0.000500
    23  Cl   0.001144   0.009720  -0.010111  -0.003068  -0.004036  -0.005693
    24  H    0.007716   0.015659  -0.000229   0.012036  -0.079367   0.006594
    25  H   -0.000865  -0.000542   0.005370  -0.003075   0.003811  -0.001736
    26  H    0.004086  -0.100248   0.008259  -0.002907   0.006548  -0.000139
    27  H    0.045665   0.040300  -0.004366  -0.000288  -0.001376   0.000033
    28  H    0.000860   0.008815  -0.001316  -0.000010  -0.000350   0.000001
    29  H   -0.002045  -0.009309   0.000378   0.000035  -0.000206  -0.000027
    30  H   -0.001490   0.000821  -0.002824   0.000747  -0.002263  -0.000005
    31  H    0.000321   0.000328   0.000040   0.000027   0.000625  -0.000015
    32  H   -0.000025   0.001327  -0.001262   0.000154  -0.002632   0.000038
    33  H    0.000930  -0.011460  -0.004855   0.000601   0.006250  -0.000126
    34  H    0.132267   0.008547  -0.000302   0.015646   0.014542   0.002365
    35  H   -0.204523  -0.016894   0.006243  -0.017776  -0.070210   0.001215
    36  H   -1.064382  -0.221187   0.023041   0.009419  -0.022389  -0.001572
    37  H    2.704386   0.073137  -0.018624  -0.037361   0.031154   0.010329
    38  H    0.073137   3.719789  -0.001106   0.017697  -0.016051   0.003036
    39  H   -0.018624  -0.001106   2.729801  -0.013027  -0.001166  -0.003178
    40  H   -0.037361   0.017697  -0.013027   2.682182  -1.077051  -0.221073
    41  H    0.031154  -0.016051  -0.001166  -1.077051   3.360960  -0.039819
    42  H    0.010329   0.003036  -0.003178  -0.221073  -0.039819   2.234657
    43  H    0.001529  -0.002311  -0.003488   0.251378  -0.313909  -0.760391
    44  H   -0.001428  -0.000697  -0.000080   0.025892   0.033415  -0.085928
    45  H    0.004172  -0.003947   0.007572  -0.020228   0.015041  -0.123373
    46  H    0.004387  -0.024204  -0.025816  -0.029122   0.022918  -0.007320
    47  H    0.001291   0.013232   0.019876   0.029007  -0.020277   0.022665
              43         44         45         46         47
     1  C    0.006100   0.000948   0.000518   0.007589   0.000421
     2  C    0.015438   0.007436  -0.008525   0.005984  -0.005080
     3  C    0.025968   0.001628   0.001705   0.016590   0.006665
     4  C    0.011927   0.000378   0.000451   0.015946   0.003993
     5  C    0.000989   0.000061   0.000117   0.000097  -0.000408
     6  C    0.000993   0.000100  -0.000139   0.001564   0.000434
     7  C    0.010459  -0.002829   0.003232  -0.037250  -0.011430
     8  C   -0.161940   0.002355  -0.012252   0.002936   0.008986
     9  C    0.133455  -0.002521   0.007484  -0.021214  -0.001956
    10  C   -0.037404  -0.001439  -0.001112   0.023916   0.001581
    11  C   -0.010523  -0.008464  -0.000686  -0.046013   0.016658
    12  C   -0.010036   0.047044   0.003508  -0.125236   0.130541
    13  C   -1.184846  -0.193061   0.048298  -0.471701   0.642358
    14  C   -0.158374   0.515086  -0.357650  -0.341334   0.658013
    15  C    0.002756   0.082134  -0.065205  -0.252699   0.182791
    16  C   -0.109386  -0.029179  -0.118545  -0.243403  -0.144114
    17  C    0.844357   0.210572  -0.032317  -0.177613   0.041689
    18  C   -0.341145   0.299780  -0.269160  -0.004897  -0.010656
    19  C   -0.048004  -0.626835  -0.233469   0.162796   0.071356
    20  C    0.113922  -0.130836   0.434726   1.225945  -1.774368
    21  Zr  -0.048986  -0.087492   0.081263  -0.260828   0.104999
    22  Cl  -0.002680   0.000140   0.000117  -0.000708  -0.001810
    23  Cl   0.025874  -0.005198   0.003796   0.015308  -0.009727
    24  H   -0.003220  -0.000239  -0.005687  -0.012743   0.002132
    25  H   -0.000452  -0.000520  -0.000012  -0.005743  -0.000921
    26  H    0.001412   0.000517   0.001562   0.012471  -0.001003
    27  H    0.001276   0.000067   0.000182   0.000621   0.000002
    28  H    0.000033  -0.000004  -0.000036  -0.000255  -0.000003
    29  H    0.000063   0.000003   0.000008   0.000440   0.000039
    30  H    0.000880   0.000073  -0.000071   0.000837   0.000338
    31  H    0.000094   0.000016   0.000018   0.000215   0.000032
    32  H    0.000588   0.000047   0.000003   0.000575   0.000206
    33  H    0.001797   0.000141   0.000244   0.001370   0.000874
    34  H   -0.004358   0.000013  -0.000564   0.001335   0.000467
    35  H    0.005532  -0.003996   0.004419  -0.001673  -0.000760
    36  H   -0.004838  -0.001207  -0.001330  -0.006591  -0.001476
    37  H    0.001529  -0.001428   0.004172   0.004387   0.001291
    38  H   -0.002311  -0.000697  -0.003947  -0.024204   0.013232
    39  H   -0.003488  -0.000080   0.007572  -0.025816   0.019876
    40  H    0.251378   0.025892  -0.020228  -0.029122   0.029007
    41  H   -0.313909   0.033415   0.015041   0.022918  -0.020277
    42  H   -0.760391  -0.085928  -0.123373  -0.007320   0.022665
    43  H    3.074279  -0.062082   0.176332   0.076247  -0.008891
    44  H   -0.062082   2.019303  -0.594496  -0.245547   0.062512
    45  H    0.176332  -0.594496   2.513993   0.232227  -0.247489
    46  H    0.076247  -0.245547   0.232227   2.618678  -0.830881
    47  H   -0.008891   0.062512  -0.247489  -0.830881   2.284260
 Mulliken charges:
               1
     1  C    1.582731
     2  C   -0.630508
     3  C   -1.224796
     4  C    1.140742
     5  C    1.089147
     6  C    1.066360
     7  C    0.693480
     8  C    0.653758
     9  C   -0.065246
    10  C    1.077587
    11  C    1.447002
    12  C   -0.554468
    13  C   -0.699008
    14  C   -1.355424
    15  C    1.131996
    16  C    1.032153
    17  C    1.481742
    18  C    1.232452
    19  C    1.099355
    20  C    0.900665
    21  Zr  -0.174119
    22  Cl  -0.090591
    23  Cl  -0.092608
    24  H   -0.998621
    25  H   -0.859261
    26  H   -0.645069
    27  H   -0.407692
    28  H   -0.213319
    29  H   -0.418143
    30  H   -0.465566
    31  H   -0.218000
    32  H   -0.185553
    33  H   -0.188935
    34  H   -0.244907
    35  H   -0.507767
    36  H   -0.549418
    37  H   -0.253155
    38  H   -1.012152
    39  H   -0.873802
    40  H   -0.258945
    41  H   -0.497274
    42  H   -0.253758
    43  H   -0.506413
    44  H   -0.225582
    45  H   -0.444695
    46  H   -0.278201
    47  H   -0.236171
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.529970
     2  C   -0.630508
     3  C   -1.224796
     4  C    0.766253
     5  C    0.405581
     6  C    0.434897
     7  C   -0.165781
     8  C   -0.344863
     9  C   -0.065246
    10  C    0.324912
    11  C    0.644429
    12  C   -0.554468
    13  C   -0.699008
    14  C   -1.355424
    15  C    0.258194
    16  C    0.020000
    17  C    0.725523
    18  C    0.472282
    19  C    0.429078
    20  C    0.386294
    21  Zr  -0.174119
    22  Cl  -0.090591
    23  Cl  -0.092608
 Electronic spatial extent (au):  <R**2>=           7213.0297
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.2443    Y=              5.1346    Z=             -0.1923  Tot=              5.1440
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -159.7704   YY=           -173.7930   ZZ=           -170.8589
   XY=             -0.0786   XZ=              1.4832   YZ=              0.1656
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              8.3704   YY=             -5.6523   ZZ=             -2.7181
   XY=             -0.0786   XZ=              1.4832   YZ=              0.1656
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.4400  YYY=             11.5613  ZZZ=             -0.2748  XYY=             -1.6414
  XXY=             -9.0832  XXZ=             -0.4893  XZZ=              1.8013  YZZ=             -8.7172
  YYZ=              1.4465  XYZ=            -23.2299
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5847.6817 YYYY=          -2347.0565 ZZZZ=          -1616.4022 XXXY=             -6.5106
 XXXZ=            -27.9957 YYYX=              1.8228 YYYZ=             -4.8914 ZZZX=            -31.6790
 ZZZY=              5.0766 XXYY=          -1385.8344 XXZZ=          -1288.2231 YYZZ=           -675.5207
 XXYZ=             -1.2901 YYXZ=             15.7229 ZZXY=              0.8396
 N-N= 2.554176194561D+03 E-N=-9.187428536772D+03  KE= 1.704565592596D+03
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 14:09:10 2021, MaxMem= 10737418240 cpu:              25.1 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 9.50660282D-02 1.97034318D+00-7.55367483D-02
 Polarizability= 3.19823662D+02-3.23465241D-01 2.57041464D+02
                -3.75546137D+00 4.33822230D-01 2.38012479D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.3577    1.3709       -0.2297   -0.2131
 2     -1.3577   -1.3709       -0.2209   -0.1931      -33.5528  -33.5352
 3      0.2296    0.2131       42.8685   42.8607        0.1695    0.1931
 4      0.2209    0.1931       -0.0000    0.0000        0.2050    0.2131
 5     -9.3157   -9.3255       -0.2050   -0.2131        1.3847    1.3709
 6     -0.1694   -0.1931       -1.3846   -1.3709       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.1128   -4.1128       -0.6392   -0.6392
 2      0.5794    0.5794        0.0000    0.0000       -0.6392   -0.6392
 3      0.5794    0.5794       -4.1128   -4.1128       -0.0000    0.0000
 4     -4.1127   -4.1128       -0.5794   -0.5794     -100.6055 -100.6055
 5      0.6392    0.6392      128.5820  128.5820        0.5794    0.5794
 6    -27.9765  -27.9765       -0.6391   -0.6392        4.1128    4.1128
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.2844    0.0000       -4.7081   -5.4837       -0.3752    0.8522
 2      6.2846    5.4837        2.6874    0.7726      132.5926  134.1406
 3      0.7782   -0.8522     -171.6164 -171.4427        0.3890   -0.7726
 4     -0.8981   -0.7726       -0.3220    0.0000       -0.7394   -0.8522
 5     38.1914   37.3020        1.5719    0.8522       -5.9017   -5.4837
 6     -0.0012    0.7726        5.8015    5.4837       -1.2421    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      1.5052    0.0000       28.4547   30.3421        6.7288    1.6346
 2    -27.9197  -30.3421       -8.8121   -6.3468       29.1737   28.3310
 3     -2.8870   -1.6346       26.9437   28.2666        8.5343    6.3468
 4      9.6078    6.3468        0.5841    0.0000       -0.9275   -1.6346
 5    -54.3327  -56.5976        1.6163    1.6346       31.6404   30.3421
 6     -8.1320   -6.3468      -31.8780  -30.3421       -4.4495    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      8.0336   12.3047      -21.3703  -20.4910       -8.3021   -3.2848
 2     21.8824   22.6295        2.2334    4.8869       -4.6618   -3.2848
 3     19.6986   22.6295      -23.1530  -20.4910      -10.8299   -8.0968
 4    -25.8926  -25.3779       -8.5524  -10.3247       57.0766   55.9114
 5     -3.7943   -4.8120       33.4788   33.2741       11.5026   10.3247
 6    -91.5821  -89.1855        4.7248    4.8120       25.2147   25.3779
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.6994   -1.0378   -0.0020   -0.0015   -0.0006    6.1767
 Low frequencies ---   23.2735   76.3588   89.1063
 Diagonal vibrational polarizability:
       38.1015767      24.1925073      30.5330862
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     23.2438                76.3374                89.1042
 Red. masses --      5.5315                 4.1758                 5.6688
 Frc consts  --      0.0018                 0.0143                 0.0265
 IR Inten    --      0.4954                 0.1583                 0.9502
 RamAct Fr= 1--      0.0622                 1.2231                 1.4633
  Dep-P Fr= 1--      0.5936                 0.4756                 0.6886
  Dep-U Fr= 1--      0.7450                 0.6446                 0.8156
 Alpha2 Fr= 1--      0.0002                 0.0067                 0.0016
 Beta2  Fr= 1--      0.0077                 0.1314                 0.1989
 AlphaG Fr= 1--      0.0000                 0.0030                -0.0038
 Gamma2 Fr= 1--      0.0218                 0.7538                -0.2861
 Delta2 Fr= 1--     -0.0107                 0.0280                 0.1472
 Raman1 Fr= 1--       0.249                  4.892                  5.853
 ROA1   Fr= 1--       1.751                 73.261                -22.758
 CID1   Fr= 1--       7.033                 14.975                 -3.888
 Raman2 Fr= 1--       0.093                  1.577                  2.387
 ROA2   Fr= 1--       0.609                 17.868                 -8.045
 CID2   Fr= 1--       6.565                 11.332                 -3.371
 Raman3 Fr= 1--       0.185                  3.153                  4.774
 ROA3   Fr= 1--       1.751                 73.261                -22.758
 CID3   Fr= 1--       9.440                 23.232                 -4.767
 RC180  Fr= 1--       0.490                  0.289                  0.631
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.06  -0.02    -0.03   0.07   0.02     0.01  -0.13  -0.09
     2   6     0.01   0.01  -0.01    -0.01   0.00  -0.00     0.03  -0.05  -0.03
     3   6     0.05  -0.00  -0.06     0.04   0.00  -0.03     0.02  -0.03   0.01
     4   6     0.04   0.02  -0.14     0.07   0.06  -0.05     0.01  -0.06   0.03
     5   6    -0.05   0.04  -0.18     0.07   0.14  -0.03     0.05  -0.11   0.03
     6   6    -0.04   0.05  -0.13     0.00   0.14   0.02     0.02  -0.12  -0.05
     7   6     0.09  -0.05  -0.03     0.05  -0.04  -0.02     0.04   0.02   0.03
     8   6     0.08  -0.06   0.05     0.01  -0.07   0.00     0.06   0.03   0.01
     9   6     0.02  -0.02   0.05    -0.02  -0.04   0.01     0.05  -0.01  -0.02
    10   6    -0.02  -0.03   0.12    -0.03  -0.05   0.00     0.03  -0.01   0.00
    11   6    -0.02   0.02   0.11     0.03  -0.06  -0.02    -0.06  -0.00   0.03
    12   6     0.02   0.02   0.05     0.02  -0.06  -0.01    -0.05  -0.01   0.05
    13   6     0.01  -0.01  -0.01     0.01  -0.01   0.02    -0.05  -0.04   0.04
    14   6     0.05  -0.00  -0.05    -0.04  -0.01   0.05    -0.01  -0.04   0.03
    15   6     0.09   0.04  -0.02    -0.05  -0.07   0.05    -0.01  -0.01   0.03
    16   6     0.08   0.05   0.05    -0.02  -0.10   0.01    -0.04   0.01   0.04
    17   6    -0.04  -0.04  -0.03     0.03   0.08  -0.01    -0.09  -0.04   0.00
    18   6    -0.08  -0.05  -0.13    -0.09   0.19  -0.05    -0.19   0.01  -0.12
    19   6    -0.00  -0.03  -0.18    -0.08   0.20  -0.07    -0.08   0.00  -0.18
    20   6     0.05  -0.02  -0.11    -0.09   0.07   0.06    -0.01  -0.06   0.00
    21  40     0.01  -0.00   0.03     0.00  -0.06   0.01     0.00   0.01   0.04
    22  17    -0.07  -0.11   0.10     0.07  -0.00  -0.00     0.06   0.18  -0.13
    23  17    -0.06   0.11   0.08    -0.02  -0.05  -0.01     0.04   0.04   0.10
    24   1     0.10  -0.09   0.08     0.02  -0.10   0.02     0.08   0.06   0.03
    25   1     0.13  -0.07  -0.05     0.08  -0.06  -0.03     0.04   0.04   0.05
    26   1    -0.09   0.13  -0.01    -0.01   0.07   0.01     0.00  -0.23  -0.06
    27   1    -0.02   0.06   0.04    -0.09   0.07   0.04     0.01  -0.13  -0.19
    28   1    -0.09   0.07  -0.15    -0.00   0.19   0.04     0.02  -0.16  -0.07
    29   1     0.02   0.01  -0.14    -0.03   0.14   0.04     0.01  -0.06  -0.07
    30   1    -0.11   0.08  -0.15     0.09   0.14  -0.04     0.09  -0.16   0.03
    31   1    -0.05   0.03  -0.26     0.08   0.18  -0.03     0.06  -0.09   0.09
    32   1     0.09   0.02  -0.18     0.06   0.06  -0.04    -0.00  -0.07   0.04
    33   1     0.05   0.01  -0.13     0.12   0.06  -0.09    -0.02  -0.06   0.05
    34   1    -0.04  -0.01   0.15    -0.04  -0.04   0.03     0.02  -0.00  -0.03
    35   1    -0.03  -0.09   0.12    -0.06  -0.06  -0.03     0.06  -0.03   0.05
    36   1    -0.02   0.08   0.12     0.06  -0.09   0.01    -0.10   0.01  -0.01
    37   1    -0.04   0.01   0.15     0.04  -0.06  -0.06    -0.08  -0.01   0.09
    38   1     0.10   0.08   0.08    -0.02  -0.14  -0.00    -0.04   0.03   0.05
    39   1     0.13   0.06  -0.04    -0.09  -0.09   0.07     0.01  -0.01   0.03
    40   1    -0.00  -0.02  -0.02     0.14   0.13  -0.03    -0.01   0.01   0.00
    41   1    -0.08  -0.09   0.01     0.03   0.02   0.01    -0.14  -0.11   0.06
    42   1    -0.12  -0.05  -0.18    -0.08   0.27  -0.12    -0.24   0.05  -0.22
    43   1    -0.14  -0.06  -0.10    -0.20   0.17  -0.01    -0.30  -0.00  -0.06
    44   1    -0.02  -0.03  -0.24    -0.17   0.30  -0.11    -0.15   0.05  -0.26
    45   1     0.05  -0.02  -0.20     0.05   0.21  -0.14     0.04  -0.01  -0.26
    46   1     0.03  -0.01  -0.09    -0.17   0.12   0.16    -0.04   0.02   0.12
    47   1     0.11  -0.04  -0.13    -0.06   0.00   0.08     0.09  -0.17   0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --     97.3379               119.7026               121.2910
 Red. masses --      6.0833                 4.4473                 4.8150
 Frc consts  --      0.0340                 0.0375                 0.0417
 IR Inten    --      1.0036                 0.6046                 0.3251
 RamAct Fr= 1--      1.4010                 0.7698                 1.8375
  Dep-P Fr= 1--      0.6425                 0.3539                 0.6925
  Dep-U Fr= 1--      0.7823                 0.5228                 0.8183
 Alpha2 Fr= 1--      0.0027                 0.0067                 0.0018
 Beta2  Fr= 1--      0.1827                 0.0671                 0.2506
 AlphaG Fr= 1--      0.0020                -0.0024                 0.0023
 Gamma2 Fr= 1--     -0.2021                -0.1563                -0.4050
 Delta2 Fr= 1--     -0.0392                -0.0440                 0.1660
 Raman1 Fr= 1--       5.604                  3.079                  7.350
 ROA1   Fr= 1--     -20.656                -16.414                -33.565
 CID1   Fr= 1--      -3.686                 -5.330                 -4.567
 Raman2 Fr= 1--       2.192                  0.805                  3.007
 ROA2   Fr= 1--      -4.537                 -3.400                -11.047
 CID2   Fr= 1--      -2.070                 -4.223                 -3.673
 Raman3 Fr= 1--       4.384                  1.610                  6.015
 ROA3   Fr= 1--     -20.656                -16.414                -33.565
 CID3   Fr= 1--      -4.711                -10.195                 -5.581
 RC180  Fr= 1--       0.565                  0.046                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.02   0.05    -0.07  -0.00  -0.00     0.07   0.12   0.14
     2   6     0.03  -0.04  -0.03    -0.03  -0.03   0.01    -0.00   0.03   0.04
     3   6     0.02  -0.05  -0.05    -0.00  -0.03  -0.01    -0.03   0.00   0.00
     4   6     0.04  -0.03  -0.02    -0.00  -0.01  -0.06    -0.09  -0.05  -0.07
     5   6     0.17   0.10   0.10    -0.03   0.02  -0.06    -0.09   0.01  -0.04
     6   6     0.12   0.11   0.22    -0.06   0.02  -0.05     0.03   0.01   0.13
     7   6     0.01  -0.06  -0.06     0.02  -0.05   0.01    -0.03   0.00   0.00
     8   6     0.02  -0.06  -0.05     0.01  -0.06   0.04    -0.03   0.01   0.01
     9   6     0.02  -0.05  -0.03    -0.02  -0.05   0.04    -0.01   0.02   0.03
    10   6     0.02  -0.05  -0.02    -0.01  -0.05   0.02    -0.02   0.01  -0.01
    11   6    -0.01  -0.03  -0.01     0.08  -0.03  -0.01     0.03  -0.01  -0.03
    12   6    -0.03  -0.02  -0.01     0.07  -0.02  -0.05     0.02  -0.01  -0.03
    13   6    -0.03  -0.03   0.00     0.02   0.03  -0.09     0.01   0.00  -0.02
    14   6    -0.04  -0.02  -0.01     0.03   0.01  -0.05     0.03  -0.03   0.02
    15   6    -0.06  -0.01  -0.03     0.06  -0.04  -0.00     0.02  -0.03   0.01
    16   6    -0.05  -0.01  -0.03     0.09  -0.06  -0.00     0.01  -0.02  -0.01
    17   6     0.00  -0.06   0.05    -0.03   0.10  -0.17    -0.04   0.07  -0.11
    18   6     0.01  -0.07   0.06     0.12   0.03   0.01    -0.03   0.09  -0.07
    19   6    -0.01  -0.06   0.07     0.07  -0.09   0.12     0.02  -0.03  -0.02
    20   6    -0.02  -0.03   0.02     0.04  -0.01  -0.02     0.06  -0.06   0.08
    21  40    -0.00  -0.01  -0.06    -0.04  -0.01   0.05     0.01   0.00  -0.00
    22  17    -0.02  -0.02  -0.07     0.06   0.13  -0.06    -0.14  -0.03  -0.11
    23  17    -0.10   0.22   0.11    -0.09   0.02   0.05     0.15  -0.04   0.10
    24   1     0.01  -0.08  -0.05     0.02  -0.07   0.07    -0.04  -0.01  -0.01
    25   1     0.01  -0.08  -0.08     0.04  -0.06   0.00    -0.05  -0.01  -0.02
    26   1     0.22  -0.01   0.01    -0.09  -0.00   0.01     0.10   0.29   0.09
    27   1     0.02   0.02   0.06    -0.09  -0.01   0.01     0.14   0.11   0.30
    28   1     0.23   0.20   0.32    -0.09   0.04  -0.06     0.08   0.07   0.18
    29   1    -0.04   0.07   0.32    -0.04   0.02  -0.06     0.03  -0.13   0.19
    30   1     0.29   0.14   0.00    -0.03   0.02  -0.06    -0.16   0.15  -0.07
    31   1     0.19   0.13   0.18    -0.02   0.04  -0.08    -0.13  -0.08  -0.13
    32   1    -0.05  -0.14   0.06     0.02  -0.03  -0.07    -0.06  -0.16  -0.08
    33   1     0.03  -0.02  -0.17     0.01  -0.01  -0.08    -0.16  -0.03  -0.15
    34   1     0.02  -0.05  -0.02    -0.02  -0.04   0.08    -0.04   0.02   0.00
    35   1     0.03  -0.05   0.00    -0.05  -0.06  -0.02    -0.05   0.01  -0.04
    36   1    -0.02  -0.05  -0.02     0.13  -0.06   0.04     0.06  -0.04  -0.00
    37   1     0.00  -0.02   0.01     0.12  -0.02  -0.06     0.05  -0.00  -0.07
    38   1    -0.07   0.00  -0.04     0.12  -0.11   0.04     0.02  -0.04  -0.01
    39   1    -0.07   0.00  -0.04     0.08  -0.07   0.03     0.02  -0.05   0.04
    40   1    -0.01  -0.05   0.08    -0.16  -0.04  -0.32    -0.04   0.02  -0.21
    41   1     0.03  -0.08   0.04    -0.05   0.33  -0.25    -0.09   0.16  -0.11
    42   1     0.02  -0.07   0.07     0.13  -0.01   0.05    -0.06   0.12  -0.13
    43   1     0.02  -0.06   0.05     0.26   0.12   0.02    -0.04   0.15   0.01
    44   1     0.01  -0.08   0.09     0.18  -0.17   0.25     0.03  -0.02   0.01
    45   1    -0.05  -0.06   0.10    -0.12  -0.16   0.16     0.02  -0.10  -0.10
    46   1     0.00  -0.05  -0.01     0.10  -0.06  -0.11     0.09   0.02   0.18
    47   1    -0.05  -0.01   0.02    -0.02   0.06  -0.02     0.09  -0.18   0.12
                      7                      8                      9
                      A                      A                      A
 Frequencies --    124.6770               138.1219               142.4039
 Red. masses --      4.4030                 4.1200                 4.5371
 Frc consts  --      0.0403                 0.0463                 0.0542
 IR Inten    --      0.1981                 0.6535                 0.1824
 RamAct Fr= 1--      3.4604                 2.8252                 1.8268
  Dep-P Fr= 1--      0.4088                 0.6172                 0.7100
  Dep-U Fr= 1--      0.5804                 0.7633                 0.8304
 Alpha2 Fr= 1--      0.0248                 0.0069                 0.0013
 Beta2  Fr= 1--      0.3347                 0.3594                 0.2528
 AlphaG Fr= 1--      0.0288                 0.0044                 0.0008
 Gamma2 Fr= 1--      0.9636                 0.8964                -1.0630
 Delta2 Fr= 1--     -0.0989                -0.1103                 0.2415
 Raman1 Fr= 1--      13.842                 11.301                  7.307
 ROA1   Fr= 1--      89.342                 82.522                -94.322
 CID1   Fr= 1--       6.455                  7.302                -12.908
 Raman2 Fr= 1--       4.017                  4.313                  3.034
 ROA2   Fr= 1--      23.919                 22.396                -27.445
 CID2   Fr= 1--       5.955                  5.193                 -9.046
 Raman3 Fr= 1--       8.033                  8.626                  6.068
 ROA3   Fr= 1--      89.342                 82.522                -94.322
 CID3   Fr= 1--      11.122                  9.567                -15.545
 RC180  Fr= 1--       0.161                  0.527                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.03   0.05     0.10   0.08   0.12     0.15   0.12   0.08
     2   6    -0.07   0.02   0.06     0.06   0.03   0.07     0.08   0.06   0.00
     3   6    -0.06   0.03   0.06     0.03   0.01   0.04     0.03   0.04  -0.02
     4   6    -0.06   0.04   0.05     0.01  -0.01   0.01    -0.01  -0.02  -0.08
     5   6    -0.16  -0.03  -0.03    -0.11  -0.09  -0.08    -0.03  -0.01  -0.09
     6   6    -0.11  -0.03  -0.07     0.04  -0.10  -0.05     0.10  -0.01   0.03
     7   6    -0.07   0.01   0.05    -0.01  -0.03  -0.00     0.03   0.05  -0.02
     8   6    -0.09   0.00   0.03    -0.02  -0.04  -0.00     0.05   0.07  -0.02
     9   6    -0.08   0.01   0.05     0.01  -0.01   0.03     0.07   0.06  -0.02
    10   6    -0.07   0.00   0.01    -0.03  -0.03   0.02     0.06   0.04  -0.09
    11   6     0.03  -0.03  -0.03    -0.03  -0.03   0.02     0.04  -0.06  -0.08
    12   6     0.06  -0.04  -0.02    -0.05  -0.02   0.01     0.02  -0.07  -0.00
    13   6     0.09  -0.06   0.03    -0.07  -0.00   0.00     0.01  -0.06   0.01
    14   6     0.04  -0.03   0.00    -0.06  -0.02   0.03    -0.01  -0.04  -0.01
    15   6     0.01  -0.02  -0.03    -0.05  -0.04   0.04    -0.01  -0.07   0.00
    16   6     0.02  -0.03  -0.05    -0.05  -0.03   0.02     0.01  -0.08   0.01
    17   6     0.18  -0.09   0.12    -0.11   0.05  -0.06     0.06  -0.11   0.09
    18   6     0.06  -0.02   0.02    -0.08   0.04   0.01     0.02  -0.11   0.01
    19   6     0.05   0.09  -0.04    -0.07  -0.06   0.07    -0.02   0.01  -0.05
    20   6     0.02   0.01   0.00    -0.04  -0.03   0.07    -0.05  -0.00  -0.07
    21  40     0.04  -0.03  -0.02     0.06   0.02  -0.04    -0.03   0.01   0.07
    22  17     0.04   0.01  -0.10     0.10  -0.00   0.03    -0.04   0.08  -0.01
    23  17    -0.02   0.10   0.06    -0.04   0.08  -0.08    -0.10  -0.05  -0.05
    24   1    -0.11  -0.03   0.01    -0.05  -0.06  -0.04     0.06   0.10  -0.01
    25   1    -0.08   0.01   0.04    -0.03  -0.05  -0.04     0.01   0.06  -0.01
    26   1    -0.16   0.11   0.06     0.02   0.30   0.11     0.14   0.28   0.05
    27   1    -0.03   0.03   0.10     0.24   0.07   0.29     0.23   0.10   0.22
    28   1    -0.18  -0.07  -0.13    -0.03  -0.14  -0.11     0.12   0.02   0.05
    29   1    -0.01  -0.03  -0.12     0.19  -0.18  -0.10     0.14  -0.12   0.06
    30   1    -0.24  -0.04   0.03    -0.26  -0.03  -0.01    -0.12   0.10  -0.08
    31   1    -0.17  -0.05  -0.10    -0.15  -0.20  -0.21    -0.08  -0.11  -0.17
    32   1    -0.00   0.12  -0.00     0.09   0.05  -0.06     0.02  -0.09  -0.10
    33   1    -0.03   0.02   0.14     0.00  -0.02   0.11    -0.08   0.00  -0.11
    34   1    -0.08   0.00   0.04    -0.06  -0.00   0.02     0.06   0.05  -0.15
    35   1    -0.11   0.01  -0.05    -0.04  -0.06   0.02     0.07   0.09  -0.09
    36   1     0.08  -0.05   0.02    -0.03  -0.04   0.03     0.04  -0.12  -0.10
    37   1     0.04  -0.04  -0.10    -0.02  -0.02   0.02     0.06  -0.05  -0.13
    38   1    -0.01  -0.03  -0.07    -0.06  -0.04   0.01     0.02  -0.10   0.02
    39   1    -0.02  -0.01  -0.05    -0.05  -0.05   0.06    -0.01  -0.07   0.02
    40   1     0.28   0.03   0.26    -0.14  -0.02  -0.16     0.10  -0.04   0.20
    41   1     0.23  -0.29   0.16    -0.14   0.15  -0.09     0.10  -0.24   0.11
    42   1     0.09   0.02   0.02    -0.09   0.06  -0.02     0.04  -0.11   0.05
    43   1    -0.03  -0.10   0.00    -0.05   0.11   0.06    -0.02  -0.18  -0.05
    44   1    -0.03   0.17  -0.11    -0.01  -0.09   0.13    -0.06   0.05  -0.10
    45   1     0.17   0.16  -0.04    -0.14  -0.12   0.05     0.05   0.09  -0.01
    46   1    -0.04   0.02   0.04    -0.01  -0.01   0.08    -0.10  -0.05  -0.12
    47   1     0.02   0.01   0.01    -0.05  -0.06   0.08    -0.05   0.07  -0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --    163.8621               182.1986               188.5696
 Red. masses --      7.5629                 3.4434                 5.4978
 Frc consts  --      0.1196                 0.0673                 0.1152
 IR Inten    --      2.1674                 0.8370                 1.6961
 RamAct Fr= 1--      1.1542                 6.7726                 3.3228
  Dep-P Fr= 1--      0.2677                 0.2121                 0.4815
  Dep-U Fr= 1--      0.4223                 0.3500                 0.6500
 Alpha2 Fr= 1--      0.0130                 0.0890                 0.0178
 Beta2  Fr= 1--      0.0812                 0.3951                 0.3600
 AlphaG Fr= 1--      0.0008                -0.0943                 0.1264
 Gamma2 Fr= 1--      0.5485                 2.0915                 0.1572
 Delta2 Fr= 1--      0.2236                 0.3661                -0.0078
 Raman1 Fr= 1--       4.617                 27.090                 13.291
 ROA1   Fr= 1--      59.810                212.498                 14.843
 CID1   Fr= 1--      12.955                  7.844                  1.117
 Raman2 Fr= 1--       0.975                  4.741                  4.320
 ROA2   Fr= 1--      11.374                 47.268                  3.835
 CID2   Fr= 1--      11.668                  9.970                  0.888
 Raman3 Fr= 1--       1.950                  9.482                  8.640
 ROA3   Fr= 1--      59.810                212.498                 14.843
 CID3   Fr= 1--      30.678                 22.410                  1.718
 RC180  Fr= 1--      -0.155                 -0.300                  0.300
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.05     0.06   0.04   0.06    -0.08  -0.08  -0.01
     2   6    -0.04  -0.03  -0.04     0.05   0.01   0.04    -0.02  -0.04   0.05
     3   6    -0.06  -0.07  -0.08     0.06   0.02   0.05     0.03  -0.04   0.03
     4   6    -0.13  -0.14  -0.17     0.14   0.10   0.13    -0.00  -0.06  -0.04
     5   6    -0.07  -0.04  -0.10     0.02  -0.02   0.02     0.03   0.01   0.00
     6   6     0.01  -0.03   0.09     0.05  -0.03  -0.09    -0.05   0.02   0.03
     7   6    -0.06  -0.07  -0.08     0.02  -0.03  -0.01     0.08  -0.05   0.07
     8   6    -0.04  -0.05  -0.05    -0.01  -0.06  -0.02     0.08  -0.06   0.13
     9   6    -0.03  -0.03  -0.03     0.00  -0.04  -0.00    -0.01  -0.06   0.10
    10   6    -0.00  -0.01  -0.01    -0.01  -0.04   0.01    -0.09  -0.11   0.04
    11   6     0.00   0.02  -0.02     0.03  -0.03  -0.01     0.12  -0.14  -0.04
    12   6    -0.02   0.04  -0.04    -0.01  -0.00  -0.02     0.01  -0.08  -0.07
    13   6    -0.01   0.02  -0.03    -0.04   0.02  -0.04    -0.01  -0.04  -0.05
    14   6    -0.01   0.02  -0.03    -0.06   0.05  -0.07    -0.06  -0.03  -0.03
    15   6    -0.02   0.05  -0.06    -0.05   0.03  -0.06    -0.08  -0.07  -0.04
    16   6    -0.04   0.06  -0.06    -0.02   0.00  -0.03    -0.06  -0.09  -0.09
    17   6     0.05  -0.03   0.06    -0.03  -0.01  -0.02     0.03  -0.05  -0.00
    18   6     0.02  -0.03   0.00     0.03  -0.06   0.01     0.01  -0.04  -0.01
    19   6     0.01   0.06  -0.04    -0.05   0.03  -0.00    -0.04   0.01  -0.01
    20   6    -0.01   0.02  -0.02    -0.10   0.08  -0.12    -0.07  -0.01  -0.01
    21  40    -0.07   0.02  -0.03    -0.03  -0.01  -0.01     0.03   0.11   0.00
    22  17     0.21   0.07   0.20    -0.03   0.01  -0.01    -0.08   0.04   0.06
    23  17     0.12  -0.03   0.13     0.08  -0.02   0.10     0.09   0.05  -0.08
    24   1    -0.04  -0.06  -0.05    -0.04  -0.08  -0.05     0.09  -0.08   0.16
    25   1    -0.09  -0.10  -0.12     0.03  -0.04  -0.02     0.10  -0.07   0.05
    26   1     0.09   0.13   0.00    -0.01   0.17   0.06    -0.08  -0.20   0.01
    27   1     0.07   0.02   0.15     0.13   0.04   0.15    -0.15  -0.07  -0.12
    28   1     0.09   0.05   0.17    -0.06  -0.10  -0.19    -0.04   0.06   0.05
    29   1    -0.05  -0.16   0.18     0.19   0.01  -0.19    -0.11   0.04   0.05
    30   1    -0.07   0.09  -0.16    -0.07  -0.08   0.11     0.09   0.00  -0.03
    31   1    -0.10  -0.10  -0.12     0.02  -0.04  -0.04     0.06   0.07   0.04
    32   1    -0.13  -0.30  -0.15     0.17   0.33   0.08    -0.01  -0.17  -0.02
    33   1    -0.23  -0.10  -0.30     0.25   0.06   0.32    -0.05  -0.04  -0.13
    34   1     0.01  -0.03   0.00    -0.03  -0.03   0.04    -0.20  -0.03   0.15
    35   1     0.00  -0.01  -0.01    -0.04  -0.07  -0.02    -0.21  -0.21  -0.08
    36   1     0.01   0.02  -0.01     0.07  -0.07   0.02     0.25  -0.28   0.07
    37   1     0.02   0.04  -0.00     0.08   0.01  -0.04     0.25  -0.05  -0.20
    38   1    -0.04   0.07  -0.07    -0.01  -0.01  -0.02    -0.07  -0.13  -0.11
    39   1    -0.03   0.06  -0.08    -0.07   0.04  -0.07    -0.11  -0.09  -0.02
    40   1     0.08   0.03   0.17    -0.09  -0.03  -0.00     0.05  -0.02   0.05
    41   1     0.10  -0.15   0.08    -0.02   0.02  -0.04     0.05  -0.11   0.00
    42   1     0.04  -0.03   0.03     0.08  -0.12   0.12     0.04  -0.02   0.03
    43   1    -0.00  -0.08  -0.04     0.11  -0.10  -0.09     0.00  -0.07  -0.04
    44   1    -0.04   0.09  -0.09    -0.04   0.02  -0.00    -0.06   0.03  -0.01
    45   1     0.08   0.10  -0.03    -0.08   0.09   0.08    -0.02   0.03   0.00
    46   1    -0.02   0.04   0.01    -0.12  -0.00  -0.22    -0.06  -0.01  -0.00
    47   1    -0.01   0.00  -0.01    -0.14   0.19  -0.15    -0.08  -0.02  -0.00
                     13                     14                     15
                      A                      A                      A
 Frequencies --    197.3630               236.3403               261.6173
 Red. masses --      3.4164                 2.9980                 2.2388
 Frc consts  --      0.0784                 0.0987                 0.0903
 IR Inten    --      1.0224                 0.0490                 0.1704
 RamAct Fr= 1--      1.9900                 0.8289                 1.5552
  Dep-P Fr= 1--      0.3517                 0.4201                 0.2224
  Dep-U Fr= 1--      0.5203                 0.5916                 0.3639
 Alpha2 Fr= 1--      0.0174                 0.0057                 0.0199
 Beta2  Fr= 1--      0.1726                 0.0817                 0.0943
 AlphaG Fr= 1--      0.0353                 0.0127                 0.0446
 Gamma2 Fr= 1--     -1.3227                 0.9072                 0.3817
 Delta2 Fr= 1--      0.0629                -0.0260                 0.0088
 Raman1 Fr= 1--       7.960                  3.316                  6.221
 ROA1   Fr= 1--    -124.963                 86.260                 36.923
 CID1   Fr= 1--     -15.699                 26.017                  5.936
 Raman2 Fr= 1--       2.071                  0.981                  1.132
 ROA2   Fr= 1--     -32.248                 21.981                  9.090
 CID2   Fr= 1--     -15.571                 22.412                  8.032
 Raman3 Fr= 1--       4.142                  1.961                  2.263
 ROA3   Fr= 1--    -124.963                 86.260                 36.923
 CID3   Fr= 1--     -30.170                 43.977                 16.313
 RC180  Fr= 1--       0.041                  0.183                 -0.272
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.06   0.01   0.01    -0.06   0.00   0.05
     2   6    -0.03   0.01  -0.02    -0.01  -0.02   0.02     0.00  -0.07   0.04
     3   6    -0.04   0.01  -0.01    -0.03  -0.03   0.01     0.00  -0.06   0.04
     4   6    -0.10  -0.06  -0.06    -0.00   0.02   0.00     0.04  -0.00   0.02
     5   6    -0.04   0.01  -0.01    -0.03   0.05  -0.01    -0.04   0.04  -0.01
     6   6    -0.03   0.01   0.06    -0.05   0.05  -0.02    -0.05   0.05   0.00
     7   6     0.00   0.06   0.04    -0.05  -0.01   0.00    -0.02  -0.04   0.03
     8   6     0.02   0.08   0.03    -0.03   0.01   0.01    -0.01  -0.02   0.02
     9   6     0.01   0.05   0.01     0.02   0.01   0.03     0.02  -0.04   0.01
    10   6     0.00   0.04  -0.00     0.17   0.05  -0.06     0.20   0.02  -0.06
    11   6    -0.03  -0.00   0.02     0.24  -0.04  -0.07    -0.10   0.00   0.03
    12   6     0.00  -0.03   0.04     0.03   0.02   0.05    -0.02  -0.04   0.00
    13   6    -0.05   0.01  -0.02    -0.01   0.05   0.06    -0.01  -0.05  -0.03
    14   6    -0.07   0.04  -0.04    -0.02   0.06   0.03    -0.01  -0.05  -0.02
    15   6    -0.01  -0.02   0.03    -0.05   0.06   0.01     0.00  -0.03  -0.02
    16   6     0.03  -0.05   0.07    -0.03   0.03   0.02    -0.01  -0.02  -0.01
    17   6    -0.08   0.01  -0.04    -0.08  -0.01   0.04     0.03  -0.00  -0.03
    18   6     0.03  -0.06   0.03    -0.10  -0.05  -0.02     0.03   0.02  -0.00
    19   6    -0.08   0.05   0.02    -0.05  -0.09  -0.02     0.01   0.02  -0.00
    20   6    -0.15   0.11  -0.16     0.02  -0.01   0.00    -0.02  -0.02  -0.01
    21  40     0.06  -0.03   0.02     0.00  -0.01  -0.01    -0.00   0.02  -0.00
    22  17     0.04  -0.04  -0.04     0.02  -0.02  -0.00    -0.02   0.02   0.01
    23  17     0.05   0.02   0.02     0.00   0.00   0.01     0.02   0.02  -0.01
    24   1     0.04   0.10   0.05    -0.03   0.02   0.00    -0.01  -0.01   0.02
    25   1     0.01   0.08   0.06    -0.07  -0.01   0.00    -0.05  -0.04   0.03
    26   1     0.01  -0.08  -0.03    -0.07  -0.01   0.02    -0.07   0.03   0.05
    27   1    -0.07  -0.01  -0.08    -0.10   0.01   0.00    -0.11   0.00   0.10
    28   1     0.04   0.05   0.13    -0.07   0.05  -0.03    -0.07   0.06  -0.01
    29   1    -0.12  -0.02   0.12    -0.04   0.07  -0.03    -0.03   0.04  -0.00
    30   1    -0.00   0.05  -0.06    -0.04   0.05  -0.00    -0.09   0.06   0.01
    31   1    -0.04   0.00   0.01    -0.03   0.06  -0.03    -0.04   0.05  -0.09
    32   1    -0.10  -0.19  -0.05     0.00   0.05  -0.01     0.07   0.04  -0.01
    33   1    -0.18  -0.03  -0.17     0.05   0.01  -0.00     0.11  -0.02   0.02
    34   1     0.01   0.04  -0.04     0.27  -0.03  -0.11     0.40  -0.12  -0.32
    35   1     0.02   0.06   0.02     0.16   0.21  -0.11     0.38   0.29   0.09
    36   1    -0.06   0.01  -0.01     0.31  -0.32  -0.05    -0.28   0.19  -0.13
    37   1    -0.07  -0.03   0.02     0.42   0.09  -0.24    -0.25  -0.08   0.24
    38   1     0.06  -0.07   0.10    -0.03   0.03   0.01    -0.01  -0.01  -0.01
    39   1    -0.01  -0.02   0.03    -0.09   0.07  -0.02     0.03  -0.03  -0.02
    40   1    -0.17  -0.06  -0.09    -0.08  -0.01   0.05     0.03  -0.01  -0.05
    41   1    -0.08   0.12  -0.08    -0.13  -0.03   0.09     0.06   0.02  -0.06
    42   1     0.08  -0.14   0.18    -0.13  -0.05  -0.06     0.04   0.02   0.00
    43   1     0.15  -0.11  -0.10    -0.12  -0.03   0.01     0.03   0.01  -0.01
    44   1    -0.05   0.01   0.03     0.00  -0.16  -0.00    -0.02   0.06  -0.00
    45   1    -0.15   0.12   0.14    -0.12  -0.13  -0.02     0.03   0.04  -0.01
    46   1    -0.21  -0.03  -0.33     0.07   0.01   0.00    -0.04  -0.02  -0.00
    47   1    -0.20   0.32  -0.22     0.07  -0.04  -0.01    -0.05  -0.02   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    279.7853               284.9209               310.8992
 Red. masses --      3.3832                 3.1012                 2.2783
 Frc consts  --      0.1560                 0.1483                 0.1298
 IR Inten    --      2.2973                 2.7294                11.1994
 RamAct Fr= 1--     16.1216                 1.4598                 3.6213
  Dep-P Fr= 1--      0.1905                 0.7339                 0.2088
  Dep-U Fr= 1--      0.3200                 0.8465                 0.3454
 Alpha2 Fr= 1--      0.2245                 0.0004                 0.0480
 Beta2  Fr= 1--      0.8599                 0.2060                 0.2085
 AlphaG Fr= 1--     -0.3115                -0.0045                 0.0221
 Gamma2 Fr= 1--     -1.2917                 0.2067                 0.1099
 Delta2 Fr= 1--      0.0931                 0.0171                 0.3748
 Raman1 Fr= 1--      64.486                  5.839                 14.485
 ROA1   Fr= 1--    -121.029                 20.387                 22.540
 CID1   Fr= 1--      -1.877                  3.491                  1.556
 Raman2 Fr= 1--      10.319                  2.472                  2.502
 ROA2   Fr= 1--     -31.746                  4.823                 -0.362
 CID2   Fr= 1--      -3.077                  1.951                 -0.145
 Raman3 Fr= 1--      20.638                  4.943                  5.003
 ROA3   Fr= 1--    -121.029                 20.387                 22.540
 CID3   Fr= 1--      -5.864                  4.124                  4.505
 RC180  Fr= 1--      -0.360                  0.693                 -0.309
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.01  -0.02   0.00     0.01  -0.01  -0.02
     2   6     0.01   0.01   0.01    -0.04  -0.08  -0.05    -0.02  -0.01  -0.04
     3   6    -0.04  -0.03  -0.04     0.06  -0.00   0.06    -0.02  -0.00  -0.03
     4   6    -0.02   0.00  -0.01     0.08   0.01   0.03     0.02   0.03   0.03
     5   6     0.06   0.01   0.03    -0.10  -0.00  -0.06    -0.03  -0.01  -0.01
     6   6     0.00   0.00  -0.07    -0.02   0.00   0.11     0.00  -0.01   0.04
     7   6    -0.11  -0.09  -0.11     0.13   0.06   0.12     0.00  -0.00  -0.02
     8   6    -0.09  -0.07  -0.08     0.06  -0.00   0.04     0.01   0.00  -0.01
     9   6    -0.02  -0.01  -0.00    -0.04  -0.08  -0.07    -0.00  -0.00  -0.01
    10   6     0.01   0.00  -0.01    -0.02  -0.06  -0.06     0.00   0.00   0.02
    11   6     0.03   0.01  -0.02     0.01   0.04  -0.07     0.01  -0.01   0.03
    12   6    -0.02   0.02   0.01    -0.06   0.08  -0.05     0.03  -0.02   0.02
    13   6    -0.04   0.05   0.00    -0.04   0.08  -0.01    -0.02   0.01  -0.04
    14   6     0.04  -0.03   0.10     0.03   0.01   0.07    -0.01   0.01  -0.04
    15   6     0.11  -0.12   0.19     0.06  -0.02   0.10     0.08  -0.06   0.06
    16   6     0.07  -0.08   0.13    -0.00   0.03   0.03     0.10  -0.07   0.09
    17   6    -0.06   0.01   0.02    -0.05   0.02   0.03     0.07  -0.03   0.06
    18   6     0.05  -0.09   0.02     0.03  -0.07   0.01    -0.09   0.09  -0.00
    19   6     0.01   0.07  -0.05     0.02   0.04  -0.05    -0.03  -0.08   0.07
    20   6     0.00   0.01   0.02     0.03   0.01   0.02    -0.02   0.02  -0.06
    21  40    -0.01   0.04  -0.01    -0.03  -0.01  -0.02    -0.03   0.01  -0.02
    22  17    -0.01  -0.00  -0.01     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    23  17     0.02   0.02  -0.01    -0.00   0.01  -0.02     0.05   0.02  -0.02
    24   1    -0.13  -0.11  -0.12     0.09   0.03   0.07     0.02   0.01   0.01
    25   1    -0.16  -0.14  -0.18     0.20   0.12   0.20     0.02   0.00  -0.02
    26   1    -0.05   0.03   0.02     0.08  -0.01  -0.04     0.05  -0.02  -0.04
    27   1     0.02   0.01   0.01    -0.06  -0.02   0.05    -0.00  -0.01  -0.03
    28   1    -0.07  -0.05  -0.14     0.10   0.11   0.23     0.06   0.02   0.09
    29   1     0.07   0.07  -0.14    -0.14  -0.12   0.24    -0.05  -0.05   0.09
    30   1     0.15  -0.07   0.01    -0.30   0.13   0.00    -0.10   0.02   0.02
    31   1     0.08   0.07   0.13    -0.15  -0.10  -0.28    -0.05  -0.05  -0.07
    32   1    -0.07   0.00   0.03     0.16   0.12  -0.05     0.03   0.16   0.01
    33   1     0.01  -0.00  -0.03     0.12  -0.01   0.14     0.08   0.01   0.13
    34   1     0.02  -0.01   0.00    -0.02  -0.08   0.02     0.00   0.00   0.03
    35   1    -0.00   0.01  -0.02    -0.05  -0.09  -0.08     0.00  -0.01   0.03
    36   1     0.05  -0.05  -0.01     0.02  -0.00  -0.06     0.01   0.01   0.03
    37   1     0.07   0.03  -0.05     0.07   0.10  -0.04    -0.01  -0.03   0.01
    38   1     0.12  -0.13   0.18     0.00   0.02   0.04     0.16  -0.12   0.16
    39   1     0.18  -0.19   0.29     0.08  -0.06   0.15     0.13  -0.09   0.10
    40   1    -0.16  -0.04   0.02    -0.13  -0.00   0.06     0.22   0.13   0.22
    41   1    -0.06   0.07  -0.01    -0.05   0.04   0.02     0.15  -0.27   0.10
    42   1     0.08  -0.21   0.17     0.04  -0.16   0.12    -0.13   0.22  -0.19
    43   1     0.15  -0.17  -0.13     0.10  -0.12  -0.09    -0.24   0.16   0.18
    44   1    -0.10   0.14  -0.18    -0.05   0.08  -0.14     0.11  -0.20   0.20
    45   1     0.17   0.17  -0.05     0.13   0.10  -0.05    -0.25  -0.19   0.09
    46   1    -0.08  -0.00   0.04    -0.01   0.02   0.05     0.01  -0.06  -0.18
    47   1     0.06   0.03  -0.02     0.08   0.00   0.00    -0.07   0.14  -0.08
                     19                     20                     21
                      A                      A                      A
 Frequencies --    318.6022               326.1832               339.8588
 Red. masses --      2.7877                 3.3146                23.0567
 Frc consts  --      0.1667                 0.2078                 1.5691
 IR Inten    --     21.9093                 9.6275                46.0890
 RamAct Fr= 1--      5.0740                 3.0638                 8.8849
  Dep-P Fr= 1--      0.0904                 0.6873                 0.0169
  Dep-U Fr= 1--      0.1658                 0.8147                 0.0331
 Alpha2 Fr= 1--      0.0909                 0.0034                 0.1898
 Beta2  Fr= 1--      0.1402                 0.4160                 0.0491
 AlphaG Fr= 1--      0.0246                 0.0083                -0.1033
 Gamma2 Fr= 1--      0.9022                -0.7667                 0.7110
 Delta2 Fr= 1--      0.2277                 0.2926                -0.1841
 Raman1 Fr= 1--      20.296                 12.255                 35.540
 ROA1   Fr= 1--      93.897                -64.242                 62.365
 CID1   Fr= 1--       4.626                 -5.242                  1.755
 Raman2 Fr= 1--       1.682                  4.992                  0.589
 ROA2   Fr= 1--      19.830                -20.742                 18.537
 CID2   Fr= 1--      11.786                 -4.155                 31.476
 Raman3 Fr= 1--       3.365                  9.984                  1.178
 ROA3   Fr= 1--      93.897                -64.242                 62.365
 CID3   Fr= 1--      27.904                 -6.434                 52.948
 RC180  Fr= 1--      -0.668                  0.629                 -0.934
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.06  -0.07    -0.02   0.01   0.06    -0.02  -0.04  -0.01
     2   6    -0.00   0.00  -0.04     0.02  -0.04   0.05     0.02  -0.00   0.04
     3   6    -0.02  -0.02  -0.05     0.05  -0.01   0.08     0.00  -0.03  -0.01
     4   6     0.05   0.06   0.03     0.00  -0.07  -0.04     0.05   0.02   0.02
     5   6    -0.09  -0.01  -0.06     0.05   0.02   0.00    -0.03  -0.00  -0.02
     6   6     0.01  -0.00   0.11    -0.01   0.02  -0.05    -0.01   0.00   0.04
     7   6    -0.07  -0.07  -0.11     0.01  -0.02   0.05     0.01  -0.04  -0.00
     8   6    -0.06  -0.05  -0.10    -0.07  -0.07  -0.05     0.09   0.02   0.10
     9   6     0.00  -0.00  -0.03    -0.08  -0.08  -0.08     0.07   0.04   0.10
    10   6    -0.02  -0.01  -0.01    -0.05  -0.06  -0.12     0.04   0.02   0.04
    11   6    -0.00  -0.00  -0.01    -0.06   0.07  -0.12    -0.01  -0.01   0.03
    12   6     0.02  -0.01   0.02    -0.05   0.08  -0.08    -0.03   0.00  -0.06
    13   6     0.03  -0.02   0.03    -0.01   0.07  -0.01    -0.06   0.00  -0.10
    14   6     0.01   0.00   0.01     0.02   0.05   0.02    -0.04  -0.03  -0.04
    15   6    -0.02   0.02  -0.02     0.04   0.01   0.05     0.02  -0.09   0.02
    16   6    -0.01   0.00  -0.01    -0.00   0.04  -0.02    -0.02  -0.04  -0.05
    17   6    -0.01   0.00  -0.01     0.02   0.01   0.07     0.04  -0.03  -0.00
    18   6    -0.00  -0.00  -0.00    -0.07   0.04  -0.01    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.02  -0.06   0.03    -0.04   0.00   0.02
    20   6    -0.00   0.01  -0.01     0.01   0.05  -0.07    -0.06  -0.02  -0.00
    21  40     0.07   0.01   0.02     0.06   0.00   0.02     0.03   0.27  -0.06
    22  17    -0.05   0.06   0.04    -0.03   0.03   0.01     0.19  -0.28  -0.19
    23  17    -0.03  -0.03   0.02    -0.03  -0.03   0.03    -0.28  -0.33   0.29
    24   1    -0.11  -0.09  -0.15    -0.13  -0.12  -0.11     0.11   0.00   0.14
    25   1    -0.12  -0.11  -0.16    -0.02  -0.01   0.05    -0.05  -0.09  -0.07
    26   1     0.08  -0.26  -0.06    -0.08   0.08   0.06    -0.00  -0.15   0.01
    27   1    -0.09  -0.05  -0.24    -0.02   0.00   0.13    -0.07  -0.03  -0.10
    28   1     0.17   0.11   0.26    -0.11  -0.01  -0.13     0.03   0.05   0.09
    29   1    -0.17  -0.11   0.26     0.07   0.07  -0.13    -0.07  -0.04   0.09
    30   1    -0.28   0.12   0.00     0.14  -0.03  -0.03    -0.13   0.04   0.02
    31   1    -0.15  -0.12  -0.24     0.08   0.08   0.06    -0.05  -0.04  -0.11
    32   1     0.10   0.33  -0.03     0.01  -0.30  -0.03     0.07   0.19  -0.00
    33   1     0.19   0.01   0.25    -0.12  -0.03  -0.22     0.14  -0.01   0.14
    34   1    -0.05   0.01   0.03    -0.02  -0.09  -0.05     0.05   0.03  -0.05
    35   1    -0.04  -0.05  -0.01    -0.06  -0.06  -0.14     0.08   0.07   0.06
    36   1     0.00  -0.00  -0.00    -0.09   0.11  -0.15    -0.03   0.02   0.02
    37   1    -0.01  -0.01  -0.02    -0.07   0.07  -0.03    -0.01  -0.01   0.07
    38   1    -0.03   0.03  -0.03    -0.03   0.07  -0.05    -0.01  -0.08  -0.04
    39   1    -0.05   0.03  -0.04     0.04  -0.01   0.07     0.10  -0.15   0.10
    40   1    -0.02  -0.03  -0.07     0.10   0.12   0.21     0.10   0.06   0.13
    41   1    -0.05   0.06  -0.01     0.05  -0.17   0.12     0.14  -0.18  -0.01
    42   1     0.00  -0.00   0.00    -0.11   0.10  -0.12     0.01   0.07  -0.02
    43   1     0.01   0.00  -0.01    -0.15   0.09   0.10    -0.05   0.01   0.01
    44   1     0.00  -0.01   0.00     0.10  -0.17   0.11    -0.02  -0.01   0.06
    45   1    -0.01   0.00   0.01    -0.18  -0.13   0.06    -0.08  -0.02   0.02
    46   1    -0.01  -0.00  -0.03    -0.00  -0.05  -0.21    -0.03  -0.01  -0.00
    47   1     0.00   0.04  -0.02     0.00   0.20  -0.13    -0.08  -0.01   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --    343.9353               362.3437               366.6866
 Red. masses --     15.1032                 2.9050                 2.8677
 Frc consts  --      1.0526                 0.2247                 0.2272
 IR Inten    --     34.9847                20.0314                22.6028
 RamAct Fr= 1--      0.1738                 4.3502                 5.3280
  Dep-P Fr= 1--      0.3865                 0.4457                 0.3892
  Dep-U Fr= 1--      0.5576                 0.6165                 0.5603
 Alpha2 Fr= 1--      0.0013                 0.0271                 0.0410
 Beta2  Fr= 1--      0.0161                 0.4470                 0.4976
 AlphaG Fr= 1--     -0.0044                 0.1019                 0.1214
 Gamma2 Fr= 1--      1.5018                 0.2364                 1.6159
 Delta2 Fr= 1--     -0.1733                -0.5476                 0.0542
 Raman1 Fr= 1--       0.695                 17.401                 21.312
 ROA1   Fr= 1--     138.623                  5.166                156.856
 CID1   Fr= 1--     199.431                  0.297                  7.360
 Raman2 Fr= 1--       0.194                  5.364                  5.971
 ROA2   Fr= 1--      37.429                 10.054                 38.347
 CID2   Fr= 1--     193.154                  1.874                  6.422
 Raman3 Fr= 1--       0.388                 10.728                 11.942
 ROA3   Fr= 1--     138.623                  5.166                156.856
 CID3   Fr= 1--     357.686                  0.481                 13.135
 RC180  Fr= 1--       0.115                  0.233                  0.121
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.06  -0.00     0.01  -0.10  -0.04     0.00   0.01   0.00
     2   6     0.05  -0.00   0.05     0.13   0.10   0.17    -0.01  -0.01  -0.01
     3   6    -0.00  -0.04  -0.02     0.12   0.10   0.17     0.00   0.00   0.00
     4   6     0.06   0.02  -0.02     0.01  -0.01  -0.05    -0.00  -0.00   0.00
     5   6    -0.01   0.01  -0.06    -0.02   0.04  -0.07     0.00  -0.00   0.01
     6   6     0.04   0.01   0.03     0.06   0.03   0.00    -0.00  -0.00  -0.00
     7   6    -0.10  -0.12  -0.11    -0.01   0.02   0.05     0.02   0.01   0.01
     8   6    -0.10  -0.10  -0.11    -0.09  -0.03  -0.06     0.01   0.00   0.00
     9   6    -0.03  -0.04  -0.06     0.03   0.04   0.03    -0.00  -0.01  -0.00
    10   6    -0.05  -0.04  -0.09     0.01   0.03   0.02    -0.00  -0.01  -0.00
    11   6    -0.06   0.04  -0.09     0.01  -0.01   0.02     0.01  -0.02  -0.00
    12   6    -0.03   0.04  -0.07     0.01  -0.01   0.02     0.02  -0.03   0.04
    13   6     0.05  -0.01   0.05    -0.00  -0.01  -0.00     0.13  -0.11   0.18
    14   6     0.01   0.02  -0.00     0.00  -0.01  -0.00     0.12  -0.10   0.17
    15   6    -0.07   0.08  -0.09     0.02  -0.01   0.01     0.01  -0.02   0.06
    16   6    -0.10   0.09  -0.12     0.01  -0.01   0.02    -0.08   0.04  -0.05
    17   6     0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.02  -0.02
    18   6     0.01   0.01  -0.01     0.00   0.00   0.00    -0.01   0.05  -0.01
    19   6     0.03  -0.02  -0.01     0.00   0.00   0.00     0.03  -0.02   0.00
    20   6     0.02   0.01  -0.03    -0.01  -0.01   0.00    -0.02   0.02  -0.12
    21  40    -0.08   0.06   0.24    -0.03  -0.01  -0.03    -0.02   0.02  -0.03
    22  17     0.18  -0.25  -0.19    -0.00  -0.00  -0.00     0.00  -0.00   0.01
    23  17     0.13   0.14  -0.14     0.01   0.00   0.01     0.00  -0.00   0.00
    24   1    -0.16  -0.15  -0.16    -0.16  -0.06  -0.13     0.01   0.01   0.01
    25   1    -0.16  -0.17  -0.17    -0.07   0.01   0.02     0.02   0.02   0.01
    26   1     0.01  -0.22   0.04    -0.03  -0.53   0.07     0.00   0.05  -0.01
    27   1    -0.06  -0.05  -0.14    -0.12  -0.07  -0.45     0.02   0.01   0.04
    28   1     0.06   0.07   0.07     0.06   0.06   0.01    -0.01  -0.01  -0.01
    29   1    -0.01  -0.04   0.08     0.02   0.03   0.03     0.00   0.00  -0.01
    30   1    -0.12   0.08  -0.02    -0.12   0.16  -0.06     0.01  -0.01   0.01
    31   1    -0.04  -0.06  -0.16    -0.07  -0.06  -0.18     0.00   0.00   0.01
    32   1     0.08   0.16  -0.04     0.11  -0.29  -0.10    -0.00  -0.01   0.01
    33   1     0.14   0.00   0.07    -0.18   0.04  -0.21    -0.01   0.00  -0.00
    34   1    -0.07  -0.04  -0.03    -0.01   0.04   0.00    -0.01  -0.00   0.00
    35   1    -0.08  -0.08  -0.11     0.00   0.02   0.02    -0.01  -0.01  -0.01
    36   1    -0.09   0.09  -0.11     0.01  -0.02   0.02     0.01  -0.04  -0.00
    37   1    -0.08   0.03  -0.02     0.00  -0.01  -0.00     0.01  -0.02  -0.02
    38   1    -0.14   0.13  -0.17     0.02  -0.01   0.03    -0.13   0.08  -0.12
    39   1    -0.10   0.10  -0.11     0.03  -0.01   0.01    -0.04   0.00   0.02
    40   1     0.03  -0.00  -0.03     0.01  -0.00  -0.01    -0.00  -0.11  -0.30
    41   1    -0.03   0.04   0.03     0.01  -0.00  -0.01    -0.16   0.25  -0.01
    42   1    -0.01   0.02  -0.05     0.00   0.01  -0.00    -0.05   0.08  -0.10
    43   1    -0.01   0.03   0.02    -0.00   0.01   0.01    -0.04   0.10   0.07
    44   1     0.04  -0.03   0.01    -0.00   0.01   0.00     0.06  -0.04   0.03
    45   1     0.00  -0.03  -0.00     0.01   0.01   0.00    -0.03  -0.02   0.04
    46   1     0.01  -0.03  -0.08    -0.01  -0.01  -0.00    -0.23  -0.25  -0.41
    47   1     0.02   0.05  -0.05    -0.01   0.00   0.00     0.00   0.43  -0.29
                     25                     26                     27
                      A                      A                      A
 Frequencies --    413.4526               424.4619               429.5910
 Red. masses --      4.1794                 3.0073                 2.9845
 Frc consts  --      0.4209                 0.3192                 0.3245
 IR Inten    --      4.1315                 0.2912                 0.8004
 RamAct Fr= 1--      7.3810                 1.4195                 1.2465
  Dep-P Fr= 1--      0.4070                 0.4339                 0.4607
  Dep-U Fr= 1--      0.5785                 0.6052                 0.6308
 Alpha2 Fr= 1--      0.0533                 0.0093                 0.0073
 Beta2  Fr= 1--      0.7117                 0.1432                 0.1311
 AlphaG Fr= 1--      0.5080                 0.0456                 0.0387
 Gamma2 Fr= 1--     -3.0698                -0.2158                 0.9789
 Delta2 Fr= 1--     -0.3599                -0.0699                 0.1742
 Raman1 Fr= 1--      29.524                  5.678                  4.986
 ROA1   Fr= 1--    -306.218                -22.957                 99.551
 CID1   Fr= 1--     -10.372                 -4.043                 19.965
 Raman2 Fr= 1--       8.540                  1.718                  1.573
 ROA2   Fr= 1--     -70.796                 -4.620                 22.101
 CID2   Fr= 1--      -8.290                 -2.689                 14.053
 Raman3 Fr= 1--      17.081                  3.436                  3.145
 ROA3   Fr= 1--    -306.218                -22.957                 99.551
 CID3   Fr= 1--     -17.928                 -6.681                 31.651
 RC180  Fr= 1--       0.157                  0.210                  0.262
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.03     0.01  -0.03   0.02    -0.05   0.05  -0.03
     2   6     0.03   0.05   0.10     0.00  -0.02   0.02    -0.04   0.14   0.01
     3   6    -0.08  -0.06  -0.06    -0.04  -0.05  -0.01     0.09   0.15  -0.05
     4   6     0.01   0.04  -0.02     0.01   0.02  -0.02    -0.01   0.01   0.00
     5   6     0.02  -0.00  -0.03     0.01   0.02  -0.02     0.03  -0.11   0.02
     6   6     0.03  -0.00   0.01     0.03   0.01  -0.01    -0.10  -0.10   0.07
     7   6    -0.07  -0.07  -0.04    -0.05  -0.01   0.01     0.14  -0.02  -0.08
     8   6     0.09   0.06   0.13     0.02   0.04   0.04    -0.02  -0.13   0.01
     9   6     0.09   0.11   0.16     0.02   0.02   0.02    -0.10   0.00   0.06
    10   6    -0.00   0.06   0.03    -0.01  -0.00  -0.02     0.05   0.07  -0.01
    11   6    -0.02   0.05  -0.02     0.03  -0.04  -0.03     0.01  -0.00  -0.02
    12   6    -0.10   0.09  -0.14    -0.13   0.04   0.00    -0.05   0.02  -0.01
    13   6    -0.06   0.11  -0.08    -0.10  -0.08  -0.06    -0.05  -0.01  -0.03
    14   6     0.00  -0.01   0.10     0.05  -0.11  -0.09     0.00  -0.04  -0.01
    15   6    -0.02  -0.08   0.11     0.16   0.00  -0.06     0.02  -0.01  -0.00
    16   6    -0.13   0.02  -0.11     0.00   0.13   0.01    -0.03   0.03  -0.01
    17   6     0.05   0.07   0.02    -0.05  -0.06  -0.01     0.00   0.00  -0.00
    18   6     0.05   0.01  -0.08    -0.07   0.05   0.15     0.00   0.02   0.01
    19   6     0.02  -0.05  -0.04     0.06   0.09   0.07     0.02   0.01   0.00
    20   6    -0.00  -0.04  -0.06    -0.02  -0.01  -0.00    -0.01  -0.03  -0.01
    21  40     0.01  -0.05  -0.00     0.01  -0.01   0.01     0.00  -0.01   0.01
    22  17    -0.01   0.01   0.01    -0.01   0.01   0.00    -0.00  -0.00  -0.00
    23  17     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.14   0.07   0.19     0.02   0.06   0.04    -0.01  -0.30   0.06
    25   1    -0.10  -0.10  -0.09    -0.08  -0.01   0.01     0.27  -0.09  -0.15
    26   1    -0.02  -0.20   0.07     0.02  -0.07   0.02    -0.08   0.07  -0.02
    27   1    -0.02  -0.04  -0.13    -0.02  -0.03  -0.01     0.12   0.05  -0.07
    28   1     0.01   0.03   0.01    -0.01   0.02  -0.04     0.04  -0.01   0.19
    29   1     0.04  -0.03   0.02     0.06   0.02  -0.03    -0.22  -0.17   0.17
    30   1     0.02   0.02  -0.04    -0.00   0.04  -0.03     0.15  -0.21  -0.01
    31   1     0.01  -0.03  -0.02    -0.00  -0.01  -0.03     0.09   0.02   0.13
    32   1    -0.01   0.23  -0.03     0.00   0.09  -0.02    -0.00  -0.02   0.00
    33   1     0.16  -0.01   0.10     0.09  -0.01   0.01    -0.17   0.05   0.09
    34   1    -0.06   0.12  -0.04    -0.05   0.03  -0.03     0.25  -0.08  -0.18
    35   1    -0.01   0.07   0.01    -0.04  -0.02  -0.05     0.14   0.36   0.02
    36   1    -0.01   0.08   0.00     0.11  -0.29   0.00     0.04  -0.11  -0.01
    37   1     0.01   0.09   0.05     0.23   0.11  -0.16     0.09   0.05  -0.08
    38   1    -0.19  -0.01  -0.19     0.02   0.28   0.06    -0.03   0.06  -0.01
    39   1    -0.04  -0.14   0.18     0.32   0.04  -0.09     0.06  -0.01  -0.00
    40   1     0.11   0.20   0.23    -0.09  -0.11  -0.06     0.01   0.02   0.02
    41   1     0.13  -0.17   0.07     0.04   0.04  -0.12     0.06  -0.02  -0.03
    42   1     0.04  -0.05  -0.05    -0.11   0.17  -0.02    -0.01   0.03  -0.02
    43   1     0.09   0.01  -0.11    -0.18   0.11   0.28    -0.01   0.03   0.04
    44   1     0.06  -0.05   0.07    -0.06   0.16  -0.10    -0.00   0.04  -0.01
    45   1    -0.05  -0.11  -0.05     0.23   0.19   0.07     0.06   0.02  -0.00
    46   1    -0.08  -0.14  -0.17    -0.08  -0.07  -0.07    -0.03  -0.05  -0.04
    47   1     0.05   0.13  -0.15    -0.17   0.09   0.02    -0.04   0.02  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    449.0353               456.1609               473.0541
 Red. masses --      3.5708                 4.2706                 3.7287
 Frc consts  --      0.4242                 0.5236                 0.4916
 IR Inten    --      1.4325                 1.9354                10.8301
 RamAct Fr= 1--      1.8780                 2.3299                 0.3535
  Dep-P Fr= 1--      0.3001                 0.4620                 0.7433
  Dep-U Fr= 1--      0.4616                 0.6320                 0.8527
 Alpha2 Fr= 1--      0.0193                 0.0136                 0.0000
 Beta2  Fr= 1--      0.1445                 0.2454                 0.0502
 AlphaG Fr= 1--     -0.0851                 0.0583                -0.0035
 Gamma2 Fr= 1--     -0.9811                 1.6631                -0.8064
 Delta2 Fr= 1--     -0.9062                 0.5571                -0.6428
 Raman1 Fr= 1--       7.512                  9.320                  1.414
 ROA1   Fr= 1--    -123.186                177.487                -97.987
 CID1   Fr= 1--     -16.399                 19.044                -69.291
 Raman2 Fr= 1--       1.734                  2.945                  0.603
 ROA2   Fr= 1--     -16.298                 35.458                -14.211
 CID2   Fr= 1--      -9.400                 12.040                -23.570
 Raman3 Fr= 1--       3.468                  5.890                  1.206
 ROA3   Fr= 1--    -123.186                177.487                -97.987
 CID3   Fr= 1--     -35.524                 30.133                -81.257
 RC180  Fr= 1--      -0.077                  0.264                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.10   0.10     0.03  -0.07   0.05     0.07  -0.05  -0.01
     2   6    -0.08  -0.00   0.08    -0.07  -0.04  -0.00    -0.10  -0.05  -0.09
     3   6    -0.05  -0.03  -0.02    -0.05  -0.01   0.01    -0.06   0.04   0.02
     4   6     0.07   0.07  -0.11     0.02   0.06  -0.07    -0.05   0.09  -0.06
     5   6     0.14  -0.06  -0.14     0.09  -0.01  -0.09     0.04   0.02  -0.05
     6   6     0.05  -0.07   0.02     0.07  -0.03  -0.01     0.12  -0.00  -0.03
     7   6    -0.02  -0.01   0.04    -0.02   0.04   0.07    -0.01   0.08   0.09
     8   6    -0.02   0.01   0.10    -0.06   0.01   0.03    -0.12  -0.02  -0.03
     9   6    -0.10   0.04   0.07    -0.09  -0.02  -0.01    -0.12  -0.08  -0.06
    10   6    -0.05   0.09  -0.06    -0.04   0.01  -0.03     0.07   0.00   0.12
    11   6    -0.04   0.06  -0.08    -0.04  -0.11  -0.00     0.09   0.05   0.12
    12   6     0.09  -0.01  -0.01    -0.07  -0.08   0.14    -0.02   0.07  -0.02
    13   6     0.11  -0.03   0.05    -0.11   0.02   0.05     0.00  -0.03  -0.06
    14   6     0.04   0.04  -0.00    -0.08   0.03  -0.03    -0.01  -0.09   0.03
    15   6     0.02   0.01  -0.02    -0.10   0.06  -0.01     0.04  -0.04   0.04
    16   6     0.08  -0.02  -0.01    -0.02  -0.04   0.15    -0.06   0.06  -0.05
    17   6    -0.04  -0.07  -0.02     0.02   0.15   0.07     0.07  -0.03  -0.07
    18   6    -0.06  -0.05   0.03     0.10   0.08  -0.03     0.05   0.00  -0.08
    19   6    -0.09   0.01   0.02     0.20  -0.03  -0.06    -0.11  -0.01   0.01
    20   6     0.00   0.09   0.06     0.06  -0.11  -0.11    -0.10  -0.05   0.03
    21  40    -0.01   0.00  -0.02     0.01   0.01  -0.01     0.02   0.00   0.02
    22  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.05   0.14    -0.07   0.00   0.02    -0.16  -0.01  -0.08
    25   1    -0.02   0.00   0.05    -0.02   0.07   0.11     0.04   0.12   0.14
    26   1     0.00  -0.11   0.10     0.07  -0.05   0.03     0.16  -0.02  -0.05
    27   1     0.04  -0.10   0.06     0.03  -0.07   0.06     0.05  -0.05   0.01
    28   1     0.01   0.14   0.07     0.02   0.08  -0.01     0.07   0.02  -0.07
    29   1     0.02  -0.18   0.08     0.09  -0.08   0.01     0.17  -0.01  -0.05
    30   1     0.27  -0.10  -0.19     0.14  -0.01  -0.13     0.05   0.06  -0.08
    31   1     0.17  -0.01   0.02     0.08  -0.03   0.00    -0.00  -0.09   0.02
    32   1     0.10   0.29  -0.15     0.04   0.15  -0.10    -0.04   0.08  -0.06
    33   1     0.20   0.02   0.09     0.10   0.04   0.01    -0.03   0.08  -0.05
    34   1     0.01   0.04  -0.09     0.04  -0.04  -0.13     0.24  -0.15   0.10
    35   1    -0.05   0.20  -0.10     0.01   0.12  -0.01     0.15   0.14   0.18
    36   1    -0.09   0.18  -0.10    -0.01  -0.28  -0.01     0.18  -0.06   0.19
    37   1    -0.17  -0.05  -0.05     0.03  -0.08  -0.15     0.22   0.15   0.04
    38   1     0.09  -0.05  -0.01     0.01  -0.00   0.20    -0.09   0.06  -0.09
    39   1    -0.01   0.02  -0.03    -0.15   0.08  -0.04     0.12  -0.04   0.04
    40   1    -0.09  -0.16  -0.13     0.07   0.20   0.11     0.14   0.04   0.00
    41   1    -0.14   0.06  -0.01     0.09   0.07   0.06     0.11  -0.14  -0.05
    42   1    -0.00   0.00   0.06    -0.05  -0.04  -0.12     0.14   0.00   0.05
    43   1    -0.08  -0.09   0.01     0.13   0.14   0.02     0.10  -0.05  -0.17
    44   1    -0.04  -0.07  -0.01     0.11   0.09  -0.04    -0.05  -0.01   0.15
    45   1    -0.14   0.02   0.06     0.29  -0.03  -0.12    -0.20  -0.07   0.01
    46   1     0.03   0.15   0.14     0.11  -0.16  -0.20    -0.15  -0.03   0.08
    47   1     0.04  -0.03   0.09     0.00  -0.00  -0.13    -0.07  -0.08   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --    499.6468               519.7210               576.4914
 Red. masses --      2.7268                 2.6987                 2.8733
 Frc consts  --      0.4011                 0.4295                 0.5626
 IR Inten    --      0.2171                 1.1899                 0.4960
 RamAct Fr= 1--      1.5169                 1.0386                 5.1593
  Dep-P Fr= 1--      0.7418                 0.2305                 0.0582
  Dep-U Fr= 1--      0.8518                 0.3746                 0.1099
 Alpha2 Fr= 1--      0.0002                 0.0130                 0.0999
 Beta2  Fr= 1--      0.2153                 0.0648                 0.0945
 AlphaG Fr= 1--     -0.0042                 0.0182                -0.1638
 Gamma2 Fr= 1--     -0.3988                -0.2092                -0.3964
 Delta2 Fr= 1--      0.2087                 0.1013                 0.2954
 Raman1 Fr= 1--       6.068                  4.154                 20.637
 ROA1   Fr= 1--     -31.610                -16.845                -28.605
 CID1   Fr= 1--      -5.210                 -4.055                 -1.386
 Raman2 Fr= 1--       2.584                  0.778                  1.134
 ROA2   Fr= 1--     -11.241                 -5.832                -11.878
 CID2   Fr= 1--      -4.350                 -7.495                -10.471
 Raman3 Fr= 1--       5.168                  1.556                  2.269
 ROA3   Fr= 1--     -31.610                -16.845                -28.605
 CID3   Fr= 1--      -6.116                -10.824                -12.609
 RC180  Fr= 1--       0.704                 -0.251                 -0.780
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.02  -0.05     0.02  -0.01   0.00    -0.00  -0.03   0.03
     2   6    -0.03   0.04  -0.02     0.01   0.02   0.03    -0.04  -0.03  -0.01
     3   6    -0.07   0.05  -0.05    -0.01  -0.01  -0.04     0.02  -0.03  -0.01
     4   6    -0.12   0.08   0.01    -0.03  -0.00   0.03     0.04  -0.05   0.03
     5   6    -0.07   0.05   0.06    -0.05   0.03   0.06    -0.01   0.02   0.03
     6   6     0.15   0.03  -0.03     0.04   0.02  -0.01     0.03   0.02   0.00
     7   6     0.04  -0.04   0.01     0.03  -0.07  -0.03     0.03  -0.03  -0.02
     8   6     0.02  -0.08   0.11     0.07  -0.04   0.08     0.03  -0.03   0.01
     9   6    -0.08  -0.07   0.04    -0.03  -0.01   0.02    -0.05   0.02  -0.01
    10   6     0.03  -0.05  -0.02    -0.04   0.00  -0.10    -0.02   0.14   0.03
    11   6    -0.02  -0.03  -0.01    -0.04  -0.00  -0.10     0.05   0.21  -0.04
    12   6     0.03  -0.02  -0.05    -0.05   0.02   0.07     0.02   0.09  -0.04
    13   6     0.01   0.04   0.00     0.03  -0.07   0.07     0.04  -0.01  -0.01
    14   6     0.02   0.06  -0.00    -0.01  -0.03  -0.01    -0.06  -0.05   0.01
    15   6    -0.02  -0.02  -0.01     0.05   0.08   0.01    -0.12   0.02  -0.03
    16   6     0.01  -0.05  -0.05     0.04   0.09   0.12     0.04  -0.09   0.09
    17   6    -0.06  -0.00   0.04     0.07   0.02  -0.03     0.03  -0.05  -0.03
    18   6    -0.06  -0.02   0.07     0.08   0.02  -0.10     0.00  -0.00   0.03
    19   6     0.05   0.00   0.00    -0.10  -0.00  -0.00     0.04  -0.02   0.01
    20   6     0.07   0.06  -0.01    -0.07  -0.03   0.02    -0.07  -0.13  -0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.01     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.04  -0.12   0.14     0.11  -0.09   0.13     0.05  -0.09   0.04
    25   1     0.17  -0.08  -0.03     0.07  -0.10  -0.07     0.03  -0.03  -0.02
    26   1     0.16  -0.21  -0.03     0.04  -0.14   0.02     0.04  -0.06   0.02
    27   1     0.00  -0.01  -0.23    -0.04   0.00  -0.12    -0.05  -0.03   0.01
    28   1     0.04  -0.14  -0.16    -0.04  -0.09  -0.10    -0.08  -0.06  -0.10
    29   1     0.28   0.13  -0.16     0.14   0.10  -0.10     0.13   0.09  -0.09
    30   1    -0.19   0.17   0.08    -0.15   0.10   0.08    -0.16   0.10   0.08
    31   1    -0.16  -0.17   0.00    -0.09  -0.07  -0.05    -0.05  -0.06  -0.14
    32   1    -0.18   0.02   0.07    -0.07  -0.04   0.06     0.02  -0.13   0.06
    33   1    -0.15   0.09  -0.05    -0.04   0.00  -0.03     0.01  -0.04  -0.07
    34   1     0.17  -0.16  -0.12    -0.04  -0.00  -0.10    -0.01   0.11   0.18
    35   1     0.09   0.14   0.01    -0.07   0.05  -0.15    -0.08   0.08  -0.03
    36   1    -0.08   0.09  -0.04    -0.04  -0.14  -0.14     0.08   0.19  -0.00
    37   1    -0.10  -0.08   0.09     0.02   0.04  -0.15     0.06   0.21  -0.08
    38   1     0.01  -0.08  -0.06     0.05   0.19   0.16     0.06  -0.23   0.09
    39   1    -0.09  -0.04   0.01     0.13   0.14  -0.06    -0.14   0.05  -0.07
    40   1    -0.12  -0.05   0.01     0.17   0.06  -0.06    -0.04  -0.12  -0.11
    41   1    -0.07   0.07   0.02     0.04  -0.05   0.02    -0.00   0.07  -0.06
    42   1    -0.11   0.01  -0.04     0.18  -0.07   0.11    -0.05   0.14  -0.17
    43   1    -0.12   0.01   0.14     0.20  -0.05  -0.26    -0.13   0.08   0.20
    44   1     0.01  -0.01  -0.12     0.03  -0.05   0.21    -0.15   0.18  -0.10
    45   1     0.12   0.06   0.01    -0.29  -0.11  -0.00     0.30   0.08  -0.04
    46   1     0.08   0.03  -0.06    -0.06   0.07   0.16    -0.10  -0.22  -0.14
    47   1     0.06   0.09  -0.02    -0.03  -0.18   0.07    -0.13   0.04  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --    602.1491               620.6774               636.4830
 Red. masses --      2.8842                 3.7659                 3.7543
 Frc consts  --      0.6161                 0.8548                 0.8961
 IR Inten    --      0.1200                 0.7360                 0.5142
 RamAct Fr= 1--      1.7896                 0.5169                 1.1307
  Dep-P Fr= 1--      0.3409                 0.4182                 0.5849
  Dep-U Fr= 1--      0.5085                 0.5898                 0.7381
 Alpha2 Fr= 1--      0.0162                 0.0036                 0.0035
 Beta2  Fr= 1--      0.1517                 0.0508                 0.1391
 AlphaG Fr= 1--     -0.0589                -0.0290                 0.0160
 Gamma2 Fr= 1--     -0.7054                 0.4383                -1.1558
 Delta2 Fr= 1--      0.0961                -0.0292                -1.1475
 Raman1 Fr= 1--       7.158                  2.068                  4.523
 ROA1   Fr= 1--     -64.645                 41.141               -147.671
 CID1   Fr= 1--      -9.031                 19.898                -32.652
 Raman2 Fr= 1--       1.820                  0.610                  1.669
 ROA2   Fr= 1--     -17.699                 10.752                -18.558
 CID2   Fr= 1--      -9.725                 17.635                -11.120
 Raman3 Fr= 1--       3.640                  1.219                  3.338
 ROA3   Fr= 1--     -64.645                 41.141               -147.671
 CID3   Fr= 1--     -17.760                 33.739                -44.240
 RC180  Fr= 1--       0.017                  0.180                  0.476
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.04   0.03    -0.01   0.00   0.05     0.00  -0.00  -0.00
     2   6    -0.11  -0.08  -0.07     0.06   0.06   0.08    -0.02  -0.01  -0.02
     3   6     0.05  -0.04   0.00    -0.15  -0.15  -0.16    -0.00  -0.01   0.00
     4   6     0.10  -0.10   0.04    -0.07  -0.01  -0.03     0.00  -0.00   0.00
     5   6     0.00   0.02   0.04    -0.04   0.01   0.03     0.00   0.00   0.00
     6   6     0.04   0.02   0.00    -0.02   0.01   0.01     0.01   0.00  -0.00
     7   6     0.05  -0.01  -0.03     0.21   0.10   0.15     0.01   0.00   0.01
     8   6    -0.02  -0.03  -0.05    -0.09  -0.15  -0.16    -0.02  -0.02  -0.02
     9   6    -0.03   0.10   0.04     0.12   0.07   0.04     0.02   0.03   0.03
    10   6    -0.07   0.19   0.04     0.01   0.03  -0.02    -0.01   0.00  -0.01
    11   6    -0.04  -0.05   0.01     0.00   0.01  -0.03    -0.02  -0.06   0.00
    12   6     0.04  -0.08   0.06     0.02  -0.01   0.02     0.01  -0.03  -0.01
    13   6    -0.04   0.01  -0.02    -0.00  -0.00   0.00    -0.09   0.11  -0.13
    14   6     0.02   0.03  -0.01    -0.02   0.00  -0.01     0.20  -0.17   0.21
    15   6     0.06  -0.05   0.02     0.01  -0.00   0.01    -0.05   0.13  -0.18
    16   6    -0.06   0.03  -0.09    -0.01   0.01  -0.01     0.13  -0.06   0.02
    17   6    -0.02   0.02   0.01     0.00   0.00   0.00    -0.05   0.05   0.01
    18   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.04   0.00  -0.00
    19   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.07   0.02   0.02
    20   6     0.05   0.07   0.00    -0.01  -0.02  -0.00     0.00  -0.02   0.07
    21  40    -0.00  -0.00   0.01    -0.00   0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.01  -0.13  -0.01    -0.17  -0.24  -0.24    -0.03  -0.03  -0.02
    25   1     0.06   0.02   0.02     0.37   0.20   0.29     0.02   0.01   0.02
    26   1     0.09   0.00  -0.02    -0.05  -0.14   0.10     0.02   0.02  -0.02
    27   1    -0.06  -0.04   0.09    -0.06   0.01  -0.08    -0.00  -0.01   0.02
    28   1    -0.12  -0.09  -0.14    -0.07  -0.05  -0.05    -0.00  -0.00  -0.01
    29   1     0.19   0.14  -0.14     0.06   0.04  -0.04     0.01   0.01  -0.01
    30   1    -0.25   0.16   0.13     0.05  -0.00  -0.02    -0.01   0.01   0.00
    31   1    -0.06  -0.10  -0.27    -0.02   0.04   0.12    -0.00  -0.01  -0.01
    32   1     0.07  -0.26   0.08    -0.15   0.33   0.01     0.00  -0.01   0.00
    33   1     0.03  -0.07  -0.14     0.22  -0.10   0.14     0.00  -0.00  -0.01
    34   1    -0.02   0.17  -0.14    -0.12   0.13   0.05    -0.02   0.02  -0.07
    35   1    -0.01   0.30   0.08    -0.05  -0.10  -0.06     0.00   0.03   0.00
    36   1     0.05  -0.17   0.10    -0.04   0.05  -0.07    -0.03  -0.02  -0.00
    37   1    -0.03  -0.08  -0.25    -0.05  -0.02   0.01    -0.05  -0.09  -0.01
    38   1    -0.08   0.09  -0.11    -0.02   0.02  -0.02     0.18  -0.07   0.09
    39   1     0.07  -0.09   0.08     0.04  -0.01   0.03    -0.16   0.24  -0.32
    40   1    -0.00   0.06   0.07     0.00   0.00  -0.00     0.01   0.20   0.26
    41   1     0.02  -0.05   0.01     0.00   0.00  -0.00     0.07  -0.21   0.04
    42   1    -0.00  -0.06   0.07    -0.00   0.01  -0.01     0.03  -0.11   0.19
    43   1     0.05  -0.03  -0.06    -0.00   0.01   0.01     0.10  -0.06  -0.16
    44   1     0.07  -0.08   0.01    -0.02   0.02  -0.00    -0.04  -0.02   0.03
    45   1    -0.09  -0.02   0.02     0.03   0.01  -0.01    -0.09  -0.03  -0.00
    46   1     0.07   0.10   0.04     0.00  -0.01  -0.00    -0.31  -0.21  -0.09
    47   1     0.06  -0.00   0.02    -0.03  -0.02   0.00     0.07   0.29  -0.08
                     37                     38                     39
                      A                      A                      A
 Frequencies --    656.9391               669.6875               689.9996
 Red. masses --      3.3569                 3.8625                 3.9297
 Frc consts  --      0.8536                 1.0206                 1.1023
 IR Inten    --      2.0101                 1.5602                 0.0628
 RamAct Fr= 1--      4.3248                 3.0037                21.2338
  Dep-P Fr= 1--      0.3161                 0.1259                 0.0445
  Dep-U Fr= 1--      0.4804                 0.2237                 0.0852
 Alpha2 Fr= 1--      0.0422                 0.0493                 0.4250
 Beta2  Fr= 1--      0.3463                 0.1120                 0.3015
 AlphaG Fr= 1--     -0.1760                 0.0433                -0.3113
 Gamma2 Fr= 1--     -1.2252                -0.0487                -3.0580
 Delta2 Fr= 1--      0.5416                -0.7124                -0.4069
 Raman1 Fr= 1--      17.299                 12.015                 84.935
 ROA1   Fr= 1--    -100.285                -27.471               -306.589
 CID1   Fr= 1--      -5.797                 -2.286                 -3.610
 Raman2 Fr= 1--       4.155                  1.344                  3.617
 ROA2   Fr= 1--     -33.737                  4.531                -70.138
 CID2   Fr= 1--      -8.119                  3.372                -19.389
 Raman3 Fr= 1--       8.311                  2.688                  7.235
 ROA3   Fr= 1--    -100.285                -27.471               -306.589
 CID3   Fr= 1--     -12.067                -10.222                -42.377
 RC180  Fr= 1--      -0.039                 -0.553                 -0.830
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.03     0.04   0.03  -0.15    -0.06  -0.19   0.23
     2   6     0.00  -0.00   0.01    -0.11  -0.11  -0.15    -0.08  -0.09  -0.04
     3   6     0.01   0.04   0.01     0.02   0.05   0.15     0.06   0.13   0.04
     4   6    -0.03   0.05  -0.01    -0.04   0.06   0.00    -0.11   0.19  -0.05
     5   6    -0.01   0.00  -0.00     0.00   0.01  -0.02    -0.03   0.03   0.02
     6   6    -0.00  -0.01   0.01     0.05  -0.01  -0.05    -0.04  -0.04   0.05
     7   6    -0.01  -0.03  -0.03    -0.01  -0.09   0.09     0.07  -0.03  -0.10
     8   6     0.04   0.01   0.02    -0.09  -0.10   0.01     0.09  -0.00  -0.12
     9   6    -0.03  -0.03  -0.04     0.18   0.11   0.22     0.12   0.06  -0.02
    10   6     0.02  -0.01  -0.05     0.02   0.01  -0.04     0.04  -0.02  -0.01
    11   6     0.06   0.04  -0.05    -0.00   0.00  -0.08     0.00  -0.01   0.01
    12   6     0.24  -0.11   0.16    -0.02   0.02  -0.04    -0.05   0.02  -0.00
    13   6    -0.06   0.06  -0.06     0.03  -0.02   0.04    -0.01  -0.01  -0.01
    14   6    -0.05  -0.01   0.01    -0.04   0.01  -0.03     0.01   0.00   0.01
    15   6     0.09   0.03   0.05     0.02   0.02   0.01    -0.03  -0.01  -0.00
    16   6    -0.03   0.11  -0.12     0.03   0.02   0.01    -0.03  -0.02   0.04
    17   6    -0.04   0.07   0.02     0.00   0.02   0.03     0.01  -0.04  -0.03
    18   6    -0.02   0.00   0.03     0.01   0.00   0.00     0.01  -0.00  -0.01
    19   6    -0.02  -0.02   0.02    -0.01  -0.01  -0.00     0.02   0.01  -0.00
    20   6    -0.10  -0.15   0.01    -0.04  -0.05  -0.01     0.03   0.05   0.00
    21  40    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23  17     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.06   0.02   0.05    -0.19  -0.17  -0.10     0.10   0.01  -0.12
    25   1    -0.00  -0.05  -0.06    -0.00  -0.13   0.05     0.12  -0.04  -0.11
    26   1    -0.01  -0.03   0.04     0.11   0.35  -0.25     0.01  -0.14   0.19
    27   1    -0.01  -0.02   0.02     0.12   0.00   0.19    -0.12  -0.19   0.27
    28   1    -0.03   0.01  -0.01     0.26   0.05   0.11    -0.35  -0.01  -0.14
    29   1     0.02  -0.02  -0.00    -0.15  -0.07   0.10     0.19   0.00  -0.10
    30   1     0.03  -0.01  -0.02     0.07  -0.04  -0.04     0.03   0.04  -0.02
    31   1    -0.01  -0.00   0.06    -0.00  -0.02   0.11    -0.06  -0.03   0.16
    32   1    -0.02   0.02  -0.02     0.03  -0.07  -0.04    -0.09   0.04  -0.05
    33   1    -0.07   0.06   0.00    -0.12   0.09  -0.06    -0.28   0.23  -0.06
    34   1    -0.08   0.04   0.21    -0.18   0.18   0.00    -0.12   0.11   0.07
    35   1    -0.14  -0.17  -0.18    -0.11  -0.09  -0.16    -0.02  -0.23  -0.02
    36   1    -0.10   0.30  -0.17    -0.11   0.13  -0.18    -0.03  -0.01  -0.03
    37   1    -0.23  -0.18   0.10    -0.09  -0.04   0.11     0.02   0.02   0.09
    38   1    -0.09   0.14  -0.20     0.04   0.01   0.03    -0.02  -0.01   0.05
    39   1     0.21   0.00   0.10     0.05   0.01   0.02    -0.05  -0.00  -0.02
    40   1    -0.03   0.14   0.15    -0.01  -0.01  -0.03     0.01  -0.04  -0.03
    41   1     0.03  -0.06   0.03    -0.04   0.07   0.04     0.02  -0.03  -0.04
    42   1    -0.04  -0.05   0.04    -0.01  -0.00  -0.01     0.02   0.04  -0.03
    43   1     0.04   0.04   0.03    -0.00   0.01   0.02    -0.02  -0.00   0.00
    44   1    -0.21   0.18  -0.05    -0.05   0.05   0.01     0.07  -0.05   0.01
    45   1     0.21   0.05  -0.06     0.04   0.01  -0.01    -0.05  -0.01   0.02
    46   1    -0.10  -0.21  -0.08     0.00  -0.03   0.01     0.03   0.06   0.02
    47   1    -0.16  -0.03  -0.02    -0.06  -0.08   0.01     0.05   0.03   0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --    696.3668               722.5710               742.3685
 Red. masses --      3.8976                 3.4320                 2.4451
 Frc consts  --      1.1136                 1.0557                 0.7939
 IR Inten    --      0.9322                 0.3531                 0.4257
 RamAct Fr= 1--      7.0915                 4.4042                 1.2225
  Dep-P Fr= 1--      0.1311                 0.2298                 0.5825
  Dep-U Fr= 1--      0.2317                 0.3737                 0.7362
 Alpha2 Fr= 1--      0.1150                 0.0552                 0.0038
 Beta2  Fr= 1--      0.2739                 0.2743                 0.1500
 AlphaG Fr= 1--      0.0249                -0.2984                -0.0089
 Gamma2 Fr= 1--     -0.4231                 1.4999                 0.6306
 Delta2 Fr= 1--     -0.2669                -0.6562                 0.4795
 Raman1 Fr= 1--      28.366                 17.617                  4.890
 ROA1   Fr= 1--     -49.159                122.989                 75.881
 CID1   Fr= 1--      -1.733                  6.981                 15.518
 Raman2 Fr= 1--       3.287                  3.292                  1.800
 ROA2   Fr= 1--      -8.019                 41.247                 11.298
 CID2   Fr= 1--      -2.440                 12.530                  6.277
 Raman3 Fr= 1--       6.574                  6.584                  3.600
 ROA3   Fr= 1--     -49.159                122.989                 75.881
 CID3   Fr= 1--      -7.478                 18.680                 21.080
 RC180  Fr= 1--      -0.537                 -0.253                  0.472
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.03   0.06     0.04   0.02  -0.06     0.03  -0.02  -0.01
     2   6    -0.02   0.00   0.00     0.08  -0.02   0.03     0.07  -0.03   0.02
     3   6     0.01   0.02  -0.03    -0.02  -0.03   0.08    -0.00  -0.03   0.07
     4   6     0.02  -0.01  -0.00    -0.08   0.05  -0.01    -0.07   0.05  -0.02
     5   6     0.01  -0.00   0.01    -0.05   0.02  -0.00    -0.05   0.03   0.00
     6   6    -0.01  -0.01   0.02    -0.01   0.01  -0.03    -0.02   0.00  -0.02
     7   6     0.01   0.04  -0.04     0.00  -0.11   0.08     0.01  -0.09   0.05
     8   6    -0.01   0.03  -0.03     0.09  -0.05  -0.00     0.10  -0.03  -0.06
     9   6    -0.00   0.01  -0.00    -0.02  -0.04  -0.10     0.00  -0.00  -0.09
    10   6     0.02  -0.01   0.05     0.00   0.14   0.03    -0.09   0.09   0.03
    11   6     0.02   0.01   0.02     0.02   0.16  -0.03    -0.09  -0.07   0.03
    12   6    -0.04   0.03  -0.16     0.00  -0.03   0.10     0.01  -0.00  -0.07
    13   6     0.07  -0.05   0.15    -0.05  -0.06   0.01     0.04   0.03   0.01
    14   6    -0.00  -0.05  -0.11     0.06  -0.08  -0.05    -0.03   0.05   0.03
    15   6     0.07  -0.06  -0.10    -0.01  -0.13  -0.10     0.02   0.07   0.04
    16   6     0.11  -0.04  -0.08    -0.10  -0.07   0.01     0.09   0.02  -0.06
    17   6    -0.08   0.23   0.21    -0.07   0.05   0.04     0.03   0.01   0.01
    18   6    -0.05   0.04   0.05    -0.02   0.04   0.00     0.00  -0.02   0.01
    19   6    -0.04  -0.00  -0.02     0.04   0.04  -0.02    -0.04  -0.03   0.01
    20   6    -0.07  -0.12  -0.05     0.07   0.08  -0.02    -0.05  -0.06   0.01
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.01   0.03  -0.01     0.09  -0.02  -0.00     0.11   0.03  -0.07
    25   1     0.03   0.06  -0.03    -0.07  -0.14   0.05    -0.06  -0.08   0.06
    26   1     0.00  -0.08   0.06    -0.04   0.10  -0.04    -0.02   0.06  -0.01
    27   1    -0.04  -0.03   0.00     0.05   0.01   0.04     0.03  -0.02   0.07
    28   1    -0.13  -0.02  -0.06     0.17   0.04   0.10     0.08   0.03   0.06
    29   1     0.09   0.03  -0.05    -0.15  -0.07   0.09    -0.11  -0.05   0.05
    30   1    -0.06   0.04   0.03     0.16  -0.09  -0.07     0.14  -0.07  -0.07
    31   1    -0.00  -0.03  -0.08    -0.01   0.09   0.25    -0.02   0.10   0.24
    32   1    -0.00  -0.04   0.02    -0.02   0.13  -0.06    -0.01   0.12  -0.07
    33   1    -0.01   0.00  -0.03     0.00   0.03   0.07     0.00   0.03   0.05
    34   1     0.06  -0.04   0.00    -0.02   0.12   0.24     0.07  -0.00  -0.31
    35   1     0.06   0.02   0.09    -0.07   0.00  -0.01     0.15   0.28   0.25
    36   1     0.05   0.08   0.08     0.06   0.05  -0.02     0.15  -0.27   0.26
    37   1     0.05   0.04   0.08     0.03   0.15  -0.18     0.07   0.01  -0.34
    38   1     0.16  -0.07  -0.02    -0.10  -0.03   0.01     0.11  -0.04  -0.05
    39   1     0.13  -0.07  -0.08     0.01  -0.11  -0.13     0.00   0.02   0.10
    40   1    -0.01   0.20   0.09     0.05   0.14   0.10    -0.04  -0.05  -0.05
    41   1    -0.19   0.22   0.28     0.01  -0.10   0.05    -0.02   0.10   0.01
    42   1    -0.11  -0.29   0.29    -0.03  -0.17   0.19    -0.00   0.06  -0.07
    43   1     0.18  -0.03  -0.18     0.15  -0.03  -0.18    -0.07   0.01   0.09
    44   1    -0.02   0.01   0.08     0.24  -0.16   0.08    -0.17   0.10  -0.06
    45   1    -0.11  -0.06  -0.04    -0.21  -0.07   0.03     0.12   0.03  -0.03
    46   1    -0.03  -0.03   0.06     0.04   0.13   0.07    -0.02  -0.09  -0.04
    47   1    -0.12  -0.25   0.03     0.05  -0.02   0.03    -0.02  -0.00  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --    815.4259               818.4872               832.8169
 Red. masses --      1.2205                 1.2175                 1.4886
 Frc consts  --      0.4781                 0.4805                 0.6083
 IR Inten    --     63.3923                49.5596                13.6892
 RamAct Fr= 1--      3.5178                 3.7216                 3.0754
  Dep-P Fr= 1--      0.7494                 0.5026                 0.2540
  Dep-U Fr= 1--      0.8568                 0.6690                 0.4051
 Alpha2 Fr= 1--      0.0000                 0.0182                 0.0360
 Beta2  Fr= 1--      0.5023                 0.4150                 0.2076
 AlphaG Fr= 1--     -0.0021                -0.0657                 0.0061
 Gamma2 Fr= 1--     -2.3486                -0.9935                 1.1394
 Delta2 Fr= 1--     -0.7011                -0.1361                 0.5322
 Raman1 Fr= 1--      14.071                 14.886                 12.302
 ROA1   Fr= 1--    -247.903                -99.736                126.411
 CID1   Fr= 1--     -17.618                 -6.700                 10.276
 Raman2 Fr= 1--       6.028                  4.980                  2.491
 ROA2   Fr= 1--     -50.758                -22.756                 23.088
 CID2   Fr= 1--      -8.421                 -4.570                  9.267
 Raman3 Fr= 1--      12.056                  9.959                  4.983
 ROA3   Fr= 1--    -247.903                -99.736                126.411
 CID3   Fr= 1--     -20.563                -10.015                 25.369
 RC180  Fr= 1--       0.714                  0.338                 -0.190
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00  -0.02  -0.01     0.01   0.09   0.02
     2   6    -0.00   0.00   0.00     0.02   0.01   0.03    -0.04  -0.02  -0.04
     3   6     0.00   0.00   0.00    -0.02  -0.00  -0.00     0.05   0.02   0.06
     4   6    -0.00  -0.00  -0.00     0.01   0.03   0.01    -0.04  -0.09  -0.01
     5   6    -0.00  -0.00  -0.00     0.02   0.01   0.00    -0.04  -0.05  -0.03
     6   6    -0.00   0.00   0.00     0.00  -0.01  -0.02     0.02   0.06   0.04
     7   6    -0.00  -0.00  -0.00    -0.05  -0.04  -0.04    -0.01  -0.02  -0.02
     8   6    -0.00   0.00  -0.00    -0.06  -0.05  -0.06    -0.03  -0.02  -0.03
     9   6    -0.00   0.00   0.00     0.00  -0.00   0.01     0.00   0.00   0.01
    10   6     0.00  -0.00  -0.01     0.00  -0.00   0.00     0.01   0.01   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00  -0.01     0.00  -0.01  -0.01
    12   6    -0.00   0.00   0.01    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    13   6     0.01  -0.02   0.02     0.00  -0.00   0.00    -0.01   0.00  -0.00
    14   6    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    15   6    -0.04   0.03  -0.05     0.00   0.00   0.00     0.00   0.00   0.00
    16   6    -0.06   0.05  -0.06     0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6    -0.01  -0.01  -0.02    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6    -0.01   0.00  -0.02    -0.00   0.00  -0.00     0.01  -0.00   0.01
    19   6     0.01  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.01
    20   6     0.01   0.01   0.03     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.01   0.01   0.02     0.42   0.34   0.44     0.24   0.20   0.26
    25   1     0.01   0.01   0.01     0.38   0.29   0.40     0.04   0.02   0.04
    26   1     0.02  -0.01  -0.01    -0.06   0.08  -0.01     0.19  -0.24   0.02
    27   1    -0.01   0.00  -0.02     0.07  -0.03   0.08    -0.23   0.11  -0.24
    28   1    -0.01  -0.01  -0.01     0.07   0.06   0.05    -0.13  -0.10  -0.12
    29   1     0.01   0.00  -0.01    -0.10  -0.03   0.05     0.28   0.03  -0.10
    30   1     0.01  -0.00  -0.01    -0.07   0.01   0.06     0.25  -0.08  -0.20
    31   1     0.00   0.01   0.01    -0.01  -0.05  -0.07     0.04   0.12   0.22
    32   1     0.01   0.01  -0.01    -0.03  -0.10   0.06     0.12   0.24  -0.17
    33   1     0.00  -0.01   0.01    -0.05   0.06  -0.12     0.07  -0.14   0.35
    34   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.02   0.02   0.02
    35   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    36   1    -0.01   0.00  -0.01     0.00  -0.00  -0.00    -0.02   0.01  -0.03
    37   1     0.00   0.01   0.01     0.00   0.00  -0.01    -0.01  -0.02   0.02
    38   1     0.44  -0.38   0.52    -0.02   0.01  -0.02     0.00   0.01  -0.00
    39   1     0.32  -0.27   0.36    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    40   1     0.06   0.05   0.02     0.01   0.01  -0.00    -0.03  -0.03  -0.01
    41   1    -0.01  -0.10   0.02     0.00  -0.02   0.00     0.00   0.04  -0.01
    42   1     0.02  -0.03   0.04     0.00  -0.00   0.01    -0.00   0.02  -0.03
    43   1     0.06   0.00  -0.07     0.01   0.00  -0.01    -0.03   0.00   0.03
    44   1    -0.03   0.03  -0.02    -0.01   0.00  -0.00     0.02  -0.01   0.02
    45   1     0.08  -0.01  -0.03     0.01   0.00  -0.00    -0.04   0.00   0.01
    46   1    -0.00  -0.07  -0.07     0.00  -0.00  -0.01    -0.01   0.03   0.03
    47   1    -0.03   0.14  -0.00    -0.00   0.01  -0.00     0.01  -0.05  -0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --    835.4440               864.3253               864.9845
 Red. masses --      1.4984                 2.3770                 2.3835
 Frc consts  --      0.6162                 1.0463                 1.0507
 IR Inten    --      3.6792                 0.2501                 3.0166
 RamAct Fr= 1--      2.1857                 3.7103                 1.0880
  Dep-P Fr= 1--      0.0442                 0.0512                 0.6019
  Dep-U Fr= 1--      0.0846                 0.0975                 0.7515
 Alpha2 Fr= 1--      0.0438                 0.0731                 0.0030
 Beta2  Fr= 1--      0.0308                 0.0603                 0.1363
 AlphaG Fr= 1--     -0.0525                 0.0125                 0.0054
 Gamma2 Fr= 1--     -0.3427                -2.2895                 2.4839
 Delta2 Fr= 1--     -0.0334                -1.5071                 1.5758
 Raman1 Fr= 1--       8.743                 14.841                  4.352
 ROA1   Fr= 1--     -33.971               -268.018                288.883
 CID1   Fr= 1--      -3.885                -18.059                 66.380
 Raman2 Fr= 1--       0.370                  0.723                  1.635
 ROA2   Fr= 1--      -7.959                -42.890                 47.007
 CID2   Fr= 1--     -21.521                -59.295                 28.747
 Raman3 Fr= 1--       0.740                  1.447                  3.270
 ROA3   Fr= 1--     -33.971               -268.018                288.883
 CID3   Fr= 1--     -45.930               -185.265                 88.333
 RC180  Fr= 1--      -0.831                 -0.805                  0.503
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.00    -0.07   0.03   0.02     0.10  -0.03  -0.03
     2   6     0.00   0.00   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.02
     3   6    -0.01  -0.00  -0.01    -0.01   0.02  -0.00     0.02  -0.02  -0.00
     4   6     0.00   0.01   0.00    -0.05  -0.01   0.06     0.07   0.02  -0.08
     5   6     0.01   0.01   0.00     0.06  -0.09  -0.05    -0.08   0.12   0.06
     6   6    -0.00  -0.01  -0.01     0.07   0.08  -0.04    -0.10  -0.11   0.06
     7   6    -0.00  -0.00   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.00
     8   6     0.00  -0.00   0.00     0.03   0.00  -0.01    -0.05   0.00   0.02
     9   6    -0.01  -0.00  -0.01     0.02   0.00  -0.01    -0.01  -0.00   0.02
    10   6     0.00   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.01  -0.00
    11   6     0.01  -0.00   0.00    -0.01   0.01   0.00     0.00   0.01  -0.01
    12   6     0.01  -0.01   0.02    -0.01   0.00   0.02    -0.00   0.00   0.01
    13   6    -0.04   0.05  -0.04     0.01  -0.02  -0.02     0.00  -0.01  -0.01
    14   6     0.03  -0.05   0.05     0.01   0.02   0.00     0.01   0.01   0.00
    15   6    -0.01   0.02  -0.01    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    16   6    -0.03   0.02  -0.03    -0.04  -0.00   0.02    -0.03   0.00   0.02
    17   6     0.05   0.01   0.07     0.09   0.04  -0.05     0.06   0.03  -0.04
    18   6     0.06  -0.02   0.05    -0.04   0.04   0.15    -0.03   0.03   0.11
    19   6    -0.02   0.02  -0.07    -0.15  -0.05  -0.04    -0.10  -0.04  -0.03
    20   6    -0.03  -0.01  -0.09     0.09  -0.03  -0.07     0.06  -0.02  -0.05
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    23  17    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.01  -0.01    -0.05  -0.06  -0.09     0.04   0.06   0.12
    25   1     0.01   0.01   0.02     0.07   0.02   0.03    -0.06  -0.00  -0.03
    26   1    -0.02   0.03  -0.00    -0.11  -0.00   0.04     0.16  -0.01  -0.06
    27   1     0.03  -0.01   0.02    -0.22   0.03   0.04     0.29  -0.04  -0.06
    28   1     0.02   0.01   0.01     0.10   0.26   0.04    -0.16  -0.37  -0.07
    29   1    -0.04  -0.01   0.01    -0.03   0.02   0.05     0.06  -0.02  -0.08
    30   1    -0.03   0.01   0.02    -0.06  -0.05   0.01     0.08   0.07  -0.02
    31   1    -0.00  -0.01  -0.03    -0.00  -0.24  -0.09     0.00   0.33   0.13
    32   1    -0.01  -0.03   0.02    -0.09  -0.01   0.10     0.13   0.02  -0.14
    33   1    -0.01   0.02  -0.04    -0.15   0.00   0.14     0.21  -0.01  -0.19
    34   1    -0.02   0.02   0.04    -0.02   0.01   0.02     0.01  -0.02   0.01
    35   1    -0.02  -0.02  -0.02     0.01  -0.04   0.01    -0.01   0.01  -0.02
    36   1    -0.02   0.03  -0.02     0.01  -0.05   0.00    -0.01   0.01  -0.02
    37   1    -0.03  -0.03   0.01     0.03   0.04  -0.03    -0.00   0.01   0.02
    38   1     0.17  -0.17   0.20     0.01  -0.04   0.07     0.01  -0.04   0.07
    39   1     0.07  -0.03   0.07    -0.04  -0.01   0.01    -0.06   0.02  -0.04
    40   1    -0.23  -0.21  -0.07     0.16   0.07  -0.08     0.12   0.05  -0.06
    41   1     0.05   0.36  -0.07     0.23   0.07  -0.15     0.17   0.04  -0.11
    42   1    -0.04   0.13  -0.22     0.11   0.04   0.37     0.08   0.03   0.27
    43   1    -0.23  -0.03   0.22     0.11   0.00   0.01     0.08   0.01   0.01
    44   1     0.17  -0.11   0.14    -0.25  -0.05  -0.28    -0.18  -0.04  -0.21
    45   1    -0.31   0.01   0.10     0.05   0.02  -0.08     0.03   0.02  -0.05
    46   1    -0.09   0.20   0.24     0.16  -0.02  -0.07     0.12  -0.01  -0.05
    47   1     0.13  -0.36  -0.02     0.26  -0.08  -0.12     0.19  -0.07  -0.09
                     49                     50                     51
                      A                      A                      A
 Frequencies --    875.6397               878.1239               910.0168
 Red. masses --      1.2784                 1.2456                 2.2648
 Frc consts  --      0.5775                 0.5659                 1.1051
 IR Inten    --      1.5024                 0.2965                 2.2784
 RamAct Fr= 1--      0.7008                 1.1630                 0.6671
  Dep-P Fr= 1--      0.4644                 0.5028                 0.7476
  Dep-U Fr= 1--      0.6343                 0.6692                 0.8556
 Alpha2 Fr= 1--      0.0040                 0.0057                 0.0000
 Beta2  Fr= 1--      0.0741                 0.1297                 0.0951
 AlphaG Fr= 1--      0.0057                 0.0219                -0.0020
 Gamma2 Fr= 1--      0.0081                 1.9009                -0.3381
 Delta2 Fr= 1--      1.0413                 0.1218                 0.1804
 Raman1 Fr= 1--       2.803                  4.652                  2.668
 ROA1   Fr= 1--      34.105                186.383                -26.685
 CID1   Fr= 1--      12.167                 40.065                -10.000
 Raman2 Fr= 1--       0.889                  1.557                  1.142
 ROA2   Fr= 1--      -8.135                 44.647                 -9.558
 CID2   Fr= 1--      -9.151                 28.684                 -8.373
 Raman3 Fr= 1--       1.778                  3.113                  2.283
 ROA3   Fr= 1--      34.105                186.383                -26.685
 CID3   Fr= 1--      19.183                 59.871                -11.688
 RC180  Fr= 1--       0.269                  0.338                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.00     0.02   0.01   0.01    -0.02  -0.08  -0.02
     2   6     0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.05  -0.05   0.01
     3   6     0.01   0.01   0.00     0.01   0.00   0.01     0.05   0.02  -0.01
     4   6     0.00  -0.01  -0.00     0.00  -0.01   0.00    -0.05  -0.04  -0.02
     5   6    -0.02   0.01  -0.00    -0.02   0.00  -0.01    -0.02   0.01   0.02
     6   6    -0.01  -0.00   0.01    -0.01   0.00   0.00     0.03   0.03  -0.01
     7   6    -0.04  -0.01  -0.04    -0.06  -0.04  -0.06     0.03   0.10  -0.07
     8   6     0.01   0.03   0.03     0.04   0.04   0.04    -0.08   0.01   0.02
     9   6     0.02  -0.00   0.02    -0.00   0.00   0.01     0.06  -0.01   0.09
    10   6    -0.01  -0.03  -0.00    -0.01  -0.01  -0.01    -0.08  -0.11  -0.02
    11   6    -0.02   0.03  -0.01     0.00   0.01   0.00    -0.07   0.11  -0.03
    12   6     0.01  -0.00   0.03     0.01   0.00  -0.00     0.08   0.00   0.07
    13   6     0.01   0.02  -0.01    -0.00  -0.01  -0.00     0.02   0.02  -0.01
    14   6     0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01  -0.02  -0.01
    15   6    -0.05   0.03  -0.08     0.03  -0.02   0.04     0.01  -0.05  -0.01
    16   6     0.03  -0.04   0.04    -0.02   0.02  -0.02    -0.05  -0.00   0.00
    17   6     0.02   0.00   0.02    -0.02  -0.00  -0.01    -0.01   0.03  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.02  -0.00
    19   6    -0.01   0.00  -0.01     0.02   0.00   0.01     0.01  -0.01   0.00
    20   6     0.01  -0.00   0.01    -0.01   0.00  -0.00    -0.03   0.01  -0.00
    21  40    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1    -0.19  -0.14  -0.18    -0.30  -0.25  -0.31     0.03   0.03   0.15
    25   1     0.24   0.19   0.23     0.39   0.31   0.41     0.02  -0.01  -0.22
    26   1     0.03  -0.04   0.01     0.05  -0.06   0.01    -0.08   0.20  -0.05
    27   1    -0.01   0.01  -0.03    -0.03   0.01  -0.05     0.03  -0.10   0.27
    28   1    -0.02  -0.03  -0.01    -0.01  -0.02  -0.01     0.06   0.01   0.00
    29   1     0.03  -0.02  -0.01     0.03  -0.04  -0.00    -0.08   0.16  -0.00
    30   1     0.04  -0.02  -0.03     0.06  -0.05  -0.04     0.04   0.13  -0.06
    31   1     0.01   0.06   0.04     0.01   0.09   0.07    -0.05  -0.07   0.07
    32   1     0.03   0.00  -0.03     0.04  -0.00  -0.03    -0.01   0.20  -0.08
    33   1     0.00  -0.01   0.01    -0.01  -0.01   0.02     0.06  -0.08   0.20
    34   1     0.03  -0.06  -0.04     0.03  -0.04  -0.03     0.13  -0.25  -0.26
    35   1     0.04   0.02   0.04     0.01   0.04   0.01     0.17   0.13   0.19
    36   1     0.04  -0.04   0.04     0.01   0.02   0.02     0.17  -0.10   0.19
    37   1     0.04   0.07  -0.06    -0.00   0.00  -0.01     0.12   0.23  -0.27
    38   1    -0.27   0.25  -0.29     0.15  -0.16   0.17     0.02  -0.10   0.06
    39   1     0.39  -0.35   0.43    -0.24   0.21  -0.28    -0.02   0.05  -0.15
    40   1    -0.04  -0.05  -0.03     0.02   0.03   0.03    -0.00   0.06   0.06
    41   1     0.00   0.09  -0.01    -0.01  -0.05   0.01     0.01  -0.03   0.01
    42   1     0.01   0.02   0.00    -0.02  -0.02  -0.01    -0.05  -0.02  -0.08
    43   1    -0.04  -0.03  -0.00     0.02   0.02  -0.00    -0.01   0.03   0.06
    44   1     0.01  -0.01   0.02     0.01   0.01   0.00    -0.01  -0.01  -0.02
    45   1    -0.04  -0.02  -0.02     0.02   0.01   0.02     0.02   0.04   0.05
    46   1    -0.04  -0.04  -0.02     0.01   0.03   0.02    -0.03   0.05   0.05
    47   1     0.02   0.05  -0.02    -0.03  -0.03   0.02    -0.03  -0.05   0.02
                     52                     53                     54
                      A                      A                      A
 Frequencies --    920.5127               923.6458               928.5531
 Red. masses --      2.1797                 2.1556                 1.6926
 Frc consts  --      1.0882                 1.0835                 0.8598
 IR Inten    --      3.6735                 0.8843                 1.6335
 RamAct Fr= 1--      0.4794                 1.2953                 0.3600
  Dep-P Fr= 1--      0.4871                 0.2758                 0.4149
  Dep-U Fr= 1--      0.6551                 0.4324                 0.5865
 Alpha2 Fr= 1--      0.0025                 0.0143                 0.0025
 Beta2  Fr= 1--      0.0523                 0.0933                 0.0352
 AlphaG Fr= 1--      0.0455                 0.0701                 0.0093
 Gamma2 Fr= 1--     -0.1386                 0.0442                -0.3699
 Delta2 Fr= 1--      0.2206                -0.4608                -0.0071
 Raman1 Fr= 1--       1.918                  5.181                  1.440
 ROA1   Fr= 1--      -6.243                -10.499                -35.738
 CID1   Fr= 1--      -3.256                 -2.026                -24.819
 Raman2 Fr= 1--       0.628                  1.120                  0.422
 ROA2   Fr= 1--      -5.090                  4.749                 -8.821
 CID2   Fr= 1--      -8.105                  4.240                -20.889
 Raman3 Fr= 1--       1.256                  2.240                  0.845
 ROA3   Fr= 1--      -6.243                -10.499                -35.738
 CID3   Fr= 1--      -4.970                 -4.687                -42.317
 RC180  Fr= 1--       0.310                 -0.135                  0.173
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.10   0.04     0.00   0.03   0.01    -0.01  -0.02  -0.02
     2   6    -0.06   0.04  -0.05    -0.01   0.01  -0.02     0.00   0.00   0.02
     3   6    -0.06  -0.00  -0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     4   6     0.06   0.07   0.02     0.02   0.02   0.01    -0.01  -0.02  -0.01
     5   6     0.04  -0.04  -0.03     0.01  -0.01  -0.01    -0.00   0.00   0.01
     6   6    -0.05  -0.04   0.03    -0.01  -0.01   0.01     0.01   0.00   0.00
     7   6    -0.01  -0.06   0.09    -0.00  -0.01   0.02    -0.00  -0.01  -0.01
     8   6     0.03  -0.02  -0.04    -0.00  -0.00  -0.01     0.01   0.00  -0.00
     9   6     0.07   0.02   0.01     0.03   0.00   0.01    -0.03   0.00  -0.02
    10   6    -0.04  -0.08  -0.02    -0.01  -0.03   0.00     0.01   0.04   0.00
    11   6    -0.04   0.07  -0.01    -0.02   0.05  -0.02     0.03  -0.05   0.02
    12   6     0.04   0.01   0.06     0.04  -0.02  -0.02    -0.03   0.02  -0.01
    13   6     0.03   0.04  -0.00    -0.02  -0.10   0.01     0.05   0.01   0.03
    14   6     0.03  -0.01  -0.02    -0.03  -0.04   0.05     0.04  -0.03   0.02
    15   6     0.02  -0.07  -0.05    -0.06   0.13   0.09    -0.01  -0.02  -0.05
    16   6    -0.06  -0.01   0.02     0.08   0.01  -0.04    -0.02  -0.00   0.04
    17   6     0.02   0.05   0.01    -0.09  -0.03  -0.08    -0.01   0.09  -0.06
    18   6     0.02  -0.04  -0.02    -0.03   0.02   0.06     0.03  -0.09  -0.00
    19   6    -0.02  -0.04   0.01     0.09   0.04  -0.00    -0.02  -0.09   0.03
    20   6    -0.03   0.02   0.02    -0.01   0.00  -0.11    -0.06   0.08  -0.03
    21  40    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    24   1     0.05   0.20  -0.07    -0.00   0.06  -0.02    -0.01  -0.06  -0.02
    25   1    -0.13  -0.10   0.04    -0.04  -0.04  -0.02     0.02   0.04   0.05
    26   1     0.14  -0.26   0.06     0.04  -0.08   0.02    -0.04   0.07  -0.02
    27   1    -0.08   0.12  -0.31    -0.03   0.03  -0.09     0.03  -0.02   0.06
    28   1    -0.17   0.00  -0.04    -0.05   0.00  -0.01     0.03  -0.03   0.00
    29   1     0.15  -0.17  -0.02     0.04  -0.05  -0.01    -0.03   0.07  -0.01
    30   1    -0.08  -0.14   0.09    -0.02  -0.04   0.02     0.01   0.06  -0.02
    31   1     0.07   0.04  -0.15     0.02   0.01  -0.04    -0.02  -0.04   0.02
    32   1    -0.03  -0.25   0.12    -0.01  -0.07   0.03     0.01   0.07  -0.04
    33   1    -0.12   0.13  -0.24    -0.04   0.04  -0.07     0.04  -0.03   0.06
    34   1     0.08  -0.16  -0.18     0.05  -0.08  -0.03    -0.04   0.08   0.04
    35   1     0.13   0.04   0.13     0.06   0.01   0.07    -0.07  -0.01  -0.08
    36   1     0.10  -0.08   0.12     0.07  -0.03   0.06    -0.06   0.04  -0.06
    37   1     0.09   0.15  -0.15     0.07   0.11  -0.10    -0.05  -0.10   0.12
    38   1     0.00   0.00   0.09    -0.01  -0.15  -0.20    -0.05   0.12   0.02
    39   1     0.02   0.02  -0.17    -0.03  -0.02   0.28     0.13  -0.08   0.03
    40   1    -0.02   0.05   0.04     0.19   0.21   0.12     0.13   0.26   0.13
    41   1    -0.01   0.03   0.03     0.09  -0.38  -0.05     0.01  -0.21   0.05
    42   1    -0.04   0.02  -0.16    -0.10  -0.13   0.12    -0.12  -0.00  -0.30
    43   1    -0.04   0.04   0.11     0.18   0.11   0.02     0.06   0.22   0.31
    44   1    -0.11   0.03  -0.08     0.21  -0.12  -0.01    -0.20  -0.00  -0.25
    45   1     0.09   0.06   0.04    -0.10   0.10   0.18     0.20   0.25   0.24
    46   1    -0.02   0.03   0.02    -0.00   0.22   0.21    -0.02   0.23   0.18
    47   1    -0.03   0.01   0.02     0.04  -0.34   0.01     0.03  -0.20   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --    930.0611               953.2664               969.6250
 Red. masses --      1.9062                 2.3452                 2.2026
 Frc consts  --      0.9715                 1.2556                 1.2201
 IR Inten    --      0.8286                 1.5041                 1.3921
 RamAct Fr= 1--      0.6419                 2.7825                 4.7954
  Dep-P Fr= 1--      0.0538                 0.2845                 0.7098
  Dep-U Fr= 1--      0.1020                 0.4430                 0.8303
 Alpha2 Fr= 1--      0.0126                 0.0299                 0.0033
 Beta2  Fr= 1--      0.0109                 0.2054                 0.6636
 AlphaG Fr= 1--      0.0193                -0.0631                -0.0285
 Gamma2 Fr= 1--      0.2591                 1.6459                 4.9289
 Delta2 Fr= 1--      0.0297                -0.6476                 1.6575
 Raman1 Fr= 1--       2.568                 11.130                 19.182
 ROA1   Fr= 1--      25.830                137.288                526.213
 CID1   Fr= 1--      10.059                 12.335                 27.433
 Raman2 Fr= 1--       0.131                  2.465                  7.963
 ROA2   Fr= 1--       5.981                 44.683                105.034
 CID2   Fr= 1--      45.667                 18.126                 13.190
 Raman3 Fr= 1--       0.262                  4.930                 15.926
 ROA3   Fr= 1--      25.830                137.288                526.213
 CID3   Fr= 1--      98.601                 27.845                 33.041
 RC180  Fr= 1--      -0.796                 -0.114                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.03   0.07    -0.03   0.03  -0.01    -0.12   0.10  -0.00
     2   6     0.01  -0.06  -0.02     0.04  -0.02  -0.01    -0.01  -0.06   0.04
     3   6     0.00  -0.03  -0.04     0.01   0.02  -0.03     0.05  -0.06  -0.01
     4   6     0.01  -0.00   0.11     0.01   0.03  -0.04     0.06   0.10  -0.10
     5   6    -0.09   0.05  -0.06     0.03  -0.03   0.02    -0.08  -0.04   0.11
     6   6    -0.01   0.04  -0.11    -0.01  -0.02   0.04     0.13  -0.05  -0.02
     7   6     0.03   0.08  -0.06    -0.03   0.03  -0.01     0.01   0.04  -0.04
     8   6    -0.05  -0.00   0.04    -0.06  -0.00   0.08    -0.01   0.03  -0.01
     9   6    -0.01  -0.02   0.02     0.04  -0.07  -0.01    -0.01   0.00   0.02
    10   6     0.01   0.02   0.02     0.13   0.06   0.10    -0.01  -0.00  -0.02
    11   6    -0.01  -0.00  -0.01    -0.13   0.04  -0.10     0.01  -0.00   0.02
    12   6    -0.01  -0.00  -0.00    -0.05  -0.07   0.01     0.01   0.01  -0.00
    13   6     0.00   0.00   0.00    -0.04  -0.02   0.02     0.01  -0.00  -0.01
    14   6     0.00   0.00   0.00    -0.01   0.03   0.02    -0.01  -0.01  -0.00
    15   6     0.00  -0.00  -0.01     0.03   0.02   0.00    -0.00   0.00   0.00
    16   6     0.00   0.00  -0.00     0.07  -0.01  -0.08    -0.00   0.00   0.01
    17   6     0.00   0.01  -0.01     0.02   0.03   0.01     0.01   0.01  -0.00
    18   6     0.01  -0.01  -0.00     0.03  -0.03  -0.03    -0.02  -0.01   0.01
    19   6    -0.01  -0.01   0.00    -0.03  -0.04   0.00     0.02  -0.01  -0.01
    20   6    -0.01   0.01   0.00    -0.01   0.04   0.03    -0.01   0.01   0.01
    21  40     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1     0.03  -0.08   0.15    -0.11   0.00   0.02     0.02  -0.06   0.04
    25   1     0.03  -0.03  -0.20     0.12  -0.00  -0.03    -0.11   0.09   0.01
    26   1     0.11  -0.22   0.10    -0.01  -0.01  -0.01    -0.19  -0.06   0.06
    27   1    -0.10  -0.01  -0.08    -0.07   0.03  -0.02    -0.39   0.11  -0.05
    28   1     0.17   0.31   0.11    -0.07  -0.11  -0.03     0.36  -0.23   0.08
    29   1    -0.09  -0.39   0.14     0.06   0.06  -0.04     0.07  -0.18   0.08
    30   1     0.11  -0.38   0.02    -0.04   0.05   0.02     0.01  -0.16   0.11
    31   1     0.03   0.34   0.20    -0.00  -0.09  -0.06    -0.14  -0.19   0.35
    32   1    -0.02  -0.23   0.16    -0.01   0.01  -0.02     0.11  -0.07  -0.13
    33   1    -0.09   0.04  -0.13    -0.03   0.04  -0.03     0.13   0.10  -0.33
    34   1    -0.03   0.05   0.06    -0.05   0.16   0.45    -0.02   0.01  -0.05
    35   1    -0.02  -0.03  -0.01     0.04  -0.35   0.12    -0.01   0.02  -0.02
    36   1    -0.02  -0.03  -0.03    -0.05  -0.34  -0.12     0.01   0.01   0.03
    37   1    -0.02  -0.01  -0.04     0.03   0.12  -0.44     0.02   0.01   0.03
    38   1     0.01   0.03   0.01     0.12   0.02  -0.01    -0.01  -0.03  -0.01
    39   1     0.00  -0.01   0.01    -0.12  -0.00   0.01     0.02   0.01  -0.01
    40   1     0.01   0.03   0.01    -0.00  -0.00  -0.02     0.02   0.00  -0.02
    41   1     0.00  -0.01   0.01     0.01   0.07  -0.00     0.03   0.03  -0.02
    42   1    -0.01   0.01  -0.05    -0.01   0.03  -0.13    -0.04  -0.05   0.02
    43   1     0.00   0.03   0.04    -0.03   0.02   0.07    -0.01  -0.02  -0.01
    44   1    -0.04   0.00  -0.03    -0.10   0.03  -0.06     0.04  -0.05  -0.03
    45   1     0.03   0.03   0.03     0.08   0.03   0.00    -0.01  -0.03  -0.02
    46   1    -0.00   0.02   0.02     0.01   0.00  -0.02    -0.03   0.00   0.01
    47   1     0.00  -0.01   0.01     0.02   0.08   0.00    -0.04   0.03   0.02
                     58                     59                     60
                      A                      A                      A
 Frequencies --    970.3153              1002.1992              1028.4821
 Red. masses --      2.2225                 2.3624                 2.9815
 Frc consts  --      1.2329                 1.3980                 1.8581
 IR Inten    --      1.0996                 1.0246                 5.3136
 RamAct Fr= 1--      3.9738                 1.5268                 0.8854
  Dep-P Fr= 1--      0.7274                 0.4508                 0.7459
  Dep-U Fr= 1--      0.8422                 0.6215                 0.8544
 Alpha2 Fr= 1--      0.0015                 0.0093                 0.0001
 Beta2  Fr= 1--      0.5578                 0.1581                 0.1261
 AlphaG Fr= 1--     -0.0070                -0.0205                -0.0016
 Gamma2 Fr= 1--     -1.9827                -2.0885                 0.0651
 Delta2 Fr= 1--     -1.4175                -0.6476                -0.0909
 Raman1 Fr= 1--      15.895                  6.107                  3.542
 ROA1   Fr= 1--    -235.701               -221.223                  3.343
 CID1   Fr= 1--     -14.828                -36.223                  0.944
 Raman2 Fr= 1--       6.694                  1.898                  1.513
 ROA2   Fr= 1--     -36.245                -44.944                  2.290
 CID2   Fr= 1--      -5.415                -23.683                  1.513
 Raman3 Fr= 1--      13.387                  3.796                  3.026
 ROA3   Fr= 1--    -235.701               -221.223                  3.343
 CID3   Fr= 1--     -17.606                -58.285                  1.105
 RC180  Fr= 1--       0.684                  0.243                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.01  -0.00     0.01   0.01  -0.01     0.01   0.03  -0.01
     2   6    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.12  -0.08  -0.03
     3   6    -0.01   0.01   0.00    -0.01   0.01  -0.00     0.01   0.01  -0.03
     4   6    -0.01  -0.02   0.02     0.00   0.00   0.00    -0.00   0.07  -0.02
     5   6     0.01   0.01  -0.02     0.01  -0.00  -0.01     0.03  -0.06  -0.00
     6   6    -0.02   0.01   0.00    -0.01  -0.00   0.01    -0.06   0.02   0.05
     7   6    -0.00  -0.01   0.01    -0.00  -0.02   0.01    -0.02   0.01   0.01
     8   6     0.00  -0.01  -0.00    -0.05  -0.02   0.07    -0.10  -0.01   0.10
     9   6    -0.00   0.00  -0.00    -0.00   0.01  -0.04     0.05  -0.09  -0.05
    10   6    -0.00  -0.00  -0.01     0.03   0.04  -0.22    -0.01   0.10   0.01
    11   6     0.01   0.00   0.01    -0.04   0.04   0.22    -0.02  -0.10   0.00
    12   6     0.01  -0.00  -0.02    -0.00   0.01   0.04     0.06   0.09  -0.05
    13   6    -0.00  -0.06  -0.05     0.00  -0.00  -0.00     0.12   0.09  -0.04
    14   6    -0.06  -0.05  -0.00     0.01   0.01   0.00     0.02  -0.02  -0.02
    15   6    -0.01   0.04   0.04     0.00  -0.02  -0.01    -0.02  -0.01   0.01
    16   6     0.01   0.03   0.01     0.05  -0.02  -0.07    -0.11   0.01   0.10
    17   6     0.12   0.10   0.00    -0.00   0.01   0.01    -0.00  -0.01  -0.03
    18   6    -0.10  -0.07   0.05     0.01  -0.00  -0.01    -0.07  -0.00   0.03
    19   6     0.10  -0.07  -0.09    -0.01  -0.00   0.01     0.05   0.05   0.02
    20   6    -0.07   0.10   0.11    -0.00   0.00  -0.00    -0.01  -0.06  -0.04
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.01   0.00   0.00    -0.02  -0.12   0.14    -0.13   0.09   0.06
    25   1     0.01  -0.01   0.00     0.15  -0.08  -0.05     0.27  -0.12  -0.13
    26   1     0.03   0.01  -0.01     0.02  -0.00  -0.01     0.08  -0.05  -0.02
    27   1     0.06  -0.02   0.01     0.01   0.01  -0.01    -0.13   0.03   0.01
    28   1    -0.05   0.03  -0.01    -0.03  -0.02  -0.01    -0.19  -0.03  -0.05
    29   1    -0.01   0.02  -0.01     0.02   0.02  -0.01     0.07   0.08  -0.05
    30   1     0.00   0.02  -0.02    -0.00   0.01  -0.01    -0.06  -0.03   0.03
    31   1     0.02   0.03  -0.05     0.01   0.01  -0.03     0.02  -0.08  -0.08
    32   1    -0.01   0.01   0.02     0.00  -0.00   0.00    -0.05  -0.03   0.02
    33   1    -0.02  -0.02   0.05    -0.02   0.01   0.01    -0.13   0.10  -0.03
    34   1    -0.02   0.01   0.00    -0.31   0.33  -0.18    -0.18   0.27  -0.17
    35   1    -0.01  -0.00  -0.02    -0.06  -0.27  -0.24     0.02  -0.03   0.09
    36   1     0.00   0.01   0.00     0.05  -0.27   0.24     0.01   0.03   0.07
    37   1     0.01   0.00   0.03     0.31   0.33   0.17    -0.20  -0.29  -0.18
    38   1    -0.01  -0.06  -0.03     0.02  -0.13  -0.15    -0.14  -0.09   0.06
    39   1     0.09   0.10  -0.03    -0.14  -0.07   0.04     0.29   0.11  -0.11
    40   1     0.13   0.02  -0.17     0.00  -0.00  -0.01     0.02   0.04   0.04
    41   1     0.25   0.28  -0.16    -0.03   0.01   0.02    -0.06  -0.07   0.03
    42   1    -0.25  -0.31   0.05    -0.00  -0.00  -0.02    -0.05  -0.09   0.14
    43   1    -0.06  -0.16  -0.06     0.00   0.01   0.01    -0.02  -0.08  -0.09
    44   1     0.22  -0.32  -0.25    -0.03   0.03   0.01     0.13  -0.02   0.08
    45   1    -0.02  -0.17  -0.13     0.02   0.01   0.01    -0.09  -0.00   0.04
    46   1    -0.19   0.01   0.02     0.01   0.00  -0.00    -0.03  -0.02   0.03
    47   1    -0.26   0.24   0.13     0.00  -0.00  -0.00    -0.10  -0.12   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1058.0861              1059.1639              1065.5602
 Red. masses --      1.3748                 1.3333                 2.4934
 Frc consts  --      0.9068                 0.8812                 1.6680
 IR Inten    --      3.4526                 7.6570                 1.7309
 RamAct Fr= 1--      3.5868                 2.5053                 1.7126
  Dep-P Fr= 1--      0.1310                 0.4390                 0.7171
  Dep-U Fr= 1--      0.2317                 0.6101                 0.8352
 Alpha2 Fr= 1--      0.0582                 0.0160                 0.0010
 Beta2  Fr= 1--      0.1385                 0.2548                 0.2384
 AlphaG Fr= 1--     -0.0274                -0.0237                 0.0198
 Gamma2 Fr= 1--      2.4857                 1.9617                -0.4472
 Delta2 Fr= 1--      0.9527                 0.2956                -1.3936
 Raman1 Fr= 1--      14.347                 10.021                  6.850
 ROA1   Fr= 1--     269.117                197.782                -87.531
 CID1   Fr= 1--      18.757                 19.736                -12.777
 Raman2 Fr= 1--       1.662                  3.057                  2.861
 ROA2   Fr= 1--      52.036                 44.716                  0.415
 CID2   Fr= 1--      31.310                 14.626                  0.145
 Raman3 Fr= 1--       3.324                  6.114                  5.722
 ROA3   Fr= 1--     269.117                197.782                -87.531
 CID3   Fr= 1--      80.964                 32.346                -15.298
 RC180  Fr= 1--      -0.537                  0.220                  0.670
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00    -0.02  -0.01   0.02     0.05   0.01  -0.02
     2   6     0.04  -0.03  -0.01    -0.02   0.02  -0.00     0.09  -0.07  -0.01
     3   6     0.01  -0.01  -0.01    -0.01   0.03  -0.00     0.02  -0.03  -0.02
     4   6     0.00   0.02  -0.02     0.02  -0.04  -0.00     0.01   0.08  -0.04
     5   6     0.00  -0.04   0.01    -0.02   0.03   0.02     0.00  -0.10   0.02
     6   6    -0.02   0.03   0.01     0.03  -0.01  -0.03    -0.08   0.08   0.04
     7   6     0.01  -0.01   0.01     0.04  -0.09   0.02    -0.01   0.03  -0.00
     8   6    -0.03   0.02   0.02    -0.05   0.06   0.02    -0.03  -0.00   0.02
     9   6     0.01  -0.02   0.00     0.00  -0.00  -0.01     0.02  -0.03   0.01
    10   6    -0.04   0.01  -0.00    -0.01   0.00   0.00    -0.08   0.03  -0.01
    11   6     0.04   0.01   0.00     0.01   0.00   0.00     0.08   0.03   0.01
    12   6    -0.01  -0.01   0.01    -0.01  -0.01  -0.01    -0.02  -0.03  -0.02
    13   6    -0.01  -0.00   0.01    -0.02  -0.02   0.00    -0.10  -0.08   0.02
    14   6     0.01   0.02   0.01    -0.01  -0.01   0.00    -0.04  -0.03   0.01
    15   6    -0.04  -0.08  -0.02     0.01   0.02   0.00     0.03   0.06   0.01
    16   6     0.07   0.06  -0.02    -0.00  -0.01  -0.00     0.02  -0.03  -0.02
    17   6     0.00  -0.01  -0.02    -0.01  -0.00   0.01    -0.04  -0.02   0.06
    18   6     0.00   0.00   0.02     0.02   0.01  -0.01     0.11   0.05  -0.01
    19   6     0.02  -0.00  -0.03    -0.01  -0.02  -0.00    -0.05  -0.08  -0.05
    20   6    -0.03  -0.01   0.01     0.01   0.02   0.01     0.01   0.09   0.04
    21  40    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    23  17     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1    -0.06   0.15  -0.05    -0.19   0.58  -0.27    -0.01  -0.04   0.06
    25   1     0.13  -0.08  -0.06     0.50  -0.33  -0.23    -0.05   0.04   0.01
    26   1     0.05  -0.01  -0.01    -0.10  -0.01   0.06     0.18  -0.02  -0.06
    27   1    -0.03   0.00   0.01    -0.04  -0.01   0.02    -0.02   0.01   0.01
    28   1    -0.07   0.04  -0.01     0.13  -0.02   0.04    -0.24   0.13  -0.05
    29   1    -0.01   0.05  -0.01    -0.03  -0.06   0.03    -0.00   0.16  -0.05
    30   1    -0.03  -0.05   0.04     0.01   0.00   0.01    -0.06  -0.14   0.08
    31   1    -0.01  -0.07   0.02    -0.01   0.05   0.03    -0.03  -0.19   0.05
    32   1    -0.01  -0.00  -0.01     0.03   0.02  -0.02    -0.02  -0.04  -0.02
    33   1    -0.02   0.03  -0.03     0.10  -0.06  -0.02    -0.10   0.10  -0.07
    34   1     0.02  -0.03  -0.07     0.02  -0.02  -0.00     0.03  -0.05  -0.14
    35   1    -0.02   0.13  -0.01    -0.01   0.04  -0.01    -0.05   0.26  -0.04
    36   1     0.03   0.13   0.02     0.01   0.04   0.00     0.05   0.24   0.03
    37   1    -0.03  -0.04   0.06    -0.00  -0.01   0.03    -0.02  -0.03   0.16
    38   1     0.21   0.56   0.27    -0.04  -0.11  -0.07    -0.07  -0.26  -0.18
    39   1    -0.50  -0.29   0.19     0.10   0.06  -0.04     0.24   0.15  -0.07
    40   1     0.01   0.01   0.01    -0.01  -0.01   0.00    -0.09  -0.06   0.03
    41   1     0.08  -0.03  -0.06    -0.02   0.01   0.02    -0.06   0.02   0.06
    42   1    -0.01  -0.01   0.02     0.03   0.04  -0.02     0.17   0.20  -0.06
    43   1     0.00  -0.00   0.01     0.02   0.03   0.02     0.11   0.16   0.10
    44   1     0.06  -0.05  -0.01    -0.03  -0.00  -0.03    -0.11  -0.06  -0.19
    45   1    -0.04  -0.04  -0.03     0.03  -0.00  -0.02     0.11  -0.05  -0.11
    46   1    -0.08  -0.01   0.03     0.02   0.01  -0.01     0.03   0.04  -0.03
    47   1    -0.04   0.01   0.01     0.03   0.03  -0.00     0.09   0.12  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1079.7081              1085.8859              1103.9445
 Red. masses --      2.0125                 2.0479                 1.8056
 Frc consts  --      1.3823                 1.4228                 1.2965
 IR Inten    --      1.0188                 0.6200                 0.6112
 RamAct Fr= 1--      1.3172                 4.1514                 0.9242
  Dep-P Fr= 1--      0.7074                 0.6119                 0.4474
  Dep-U Fr= 1--      0.8287                 0.7593                 0.6182
 Alpha2 Fr= 1--      0.0010                 0.0105                 0.0057
 Beta2  Fr= 1--      0.1819                 0.5253                 0.0952
 AlphaG Fr= 1--      0.0029                -0.0555                -0.0298
 Gamma2 Fr= 1--      2.7950                -3.3266                -0.2620
 Delta2 Fr= 1--      1.9682                -0.8027                 0.0507
 Raman1 Fr= 1--       5.269                 16.605                  3.697
 ROA1   Fr= 1--     331.298               -345.037                -23.526
 CID1   Fr= 1--      62.878                -20.779                 -6.364
 Raman2 Fr= 1--       2.183                  6.304                  1.143
 ROA2   Fr= 1--      51.334                -73.416                 -6.692
 CID2   Fr= 1--      23.515                -11.646                 -5.857
 Raman3 Fr= 1--       4.366                 12.608                  2.285
 ROA3   Fr= 1--     331.298               -345.037                -23.526
 CID3   Fr= 1--      75.880                -27.367                -10.294
 RC180  Fr= 1--       0.657                  0.519                  0.236
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.03   0.02     0.06  -0.03   0.04     0.02   0.02   0.02
     2   6    -0.02   0.02  -0.01    -0.07   0.05  -0.01    -0.01  -0.01  -0.01
     3   6     0.01  -0.00   0.00     0.01   0.02   0.01     0.01   0.01   0.02
     4   6     0.03   0.01  -0.07     0.03  -0.03  -0.07    -0.02  -0.01  -0.02
     5   6    -0.03  -0.09   0.07    -0.03  -0.05   0.08     0.02   0.01   0.02
     6   6    -0.05   0.10  -0.03    -0.03   0.07  -0.06    -0.01  -0.01  -0.03
     7   6     0.01  -0.02   0.01    -0.00  -0.02   0.01    -0.00   0.00  -0.00
     8   6    -0.00   0.02  -0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     9   6    -0.02   0.01   0.01    -0.02   0.02  -0.00     0.00  -0.00  -0.01
    10   6     0.00  -0.01  -0.00     0.06  -0.02   0.00     0.01   0.00  -0.01
    11   6    -0.00   0.01   0.00    -0.06  -0.02  -0.00    -0.00  -0.00   0.00
    12   6    -0.02  -0.01   0.01     0.02   0.03   0.01     0.01  -0.00  -0.02
    13   6    -0.01  -0.02  -0.01     0.06   0.08   0.00     0.04  -0.05   0.04
    14   6     0.00   0.00  -0.01     0.02   0.01   0.00    -0.05   0.02  -0.05
    15   6     0.00   0.02   0.01     0.00  -0.02  -0.02     0.00  -0.01   0.01
    16   6    -0.00  -0.01  -0.00    -0.02  -0.00   0.01    -0.00   0.01   0.01
    17   6     0.06   0.06  -0.01    -0.04  -0.06  -0.00    -0.06   0.07  -0.07
    18   6    -0.07  -0.09  -0.05     0.03   0.08   0.06     0.07  -0.07   0.07
    19   6    -0.02   0.07   0.09     0.04  -0.05  -0.08    -0.04   0.07  -0.09
    20   6     0.06  -0.04  -0.03    -0.08   0.00   0.00     0.06  -0.05   0.08
    21  40    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    22  17     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1    -0.02   0.10  -0.05     0.00   0.01  -0.02     0.01  -0.04   0.02
    25   1    -0.01  -0.01   0.03    -0.05   0.02   0.06     0.00   0.01   0.01
    26   1     0.09  -0.04   0.02     0.00  -0.06   0.07    -0.05  -0.07   0.07
    27   1     0.17  -0.02  -0.05     0.21  -0.02  -0.10     0.04   0.02  -0.09
    28   1    -0.11   0.31  -0.00    -0.01   0.29   0.03     0.05   0.02   0.03
    29   1    -0.18   0.18   0.00    -0.21   0.12   0.03    -0.08  -0.02   0.02
    30   1    -0.08  -0.19   0.14    -0.07  -0.12   0.13    -0.05   0.03   0.06
    31   1    -0.10  -0.27   0.18    -0.10  -0.22   0.15     0.00  -0.03  -0.06
    32   1     0.07   0.02  -0.10     0.07   0.06  -0.11    -0.06   0.08   0.01
    33   1     0.13  -0.02  -0.11     0.20  -0.07  -0.08     0.07  -0.04   0.02
    34   1     0.03  -0.05   0.07    -0.02   0.03   0.09    -0.03   0.04  -0.03
    35   1    -0.03   0.02  -0.05     0.03  -0.19   0.02     0.02  -0.04   0.02
    36   1    -0.03  -0.04  -0.05    -0.03  -0.18  -0.01     0.03   0.02   0.04
    37   1     0.04   0.06   0.05     0.01   0.02  -0.11     0.00   0.00  -0.01
    38   1    -0.02  -0.08  -0.04    -0.01   0.01   0.02    -0.01  -0.02  -0.00
    39   1    -0.01   0.01   0.02     0.05   0.00  -0.05     0.08   0.06  -0.08
    40   1     0.10   0.04  -0.10    -0.05  -0.03   0.07    -0.17   0.19   0.33
    41   1     0.10   0.10  -0.06    -0.13  -0.10   0.07     0.19  -0.21  -0.12
    42   1    -0.22  -0.23  -0.13     0.19   0.17   0.19     0.02   0.15  -0.21
    43   1    -0.16  -0.16  -0.07     0.14   0.11   0.02    -0.18  -0.04   0.25
    44   1    -0.06   0.21   0.25     0.10  -0.20  -0.21     0.17  -0.11   0.08
    45   1    -0.03   0.15   0.19     0.02  -0.15  -0.16    -0.30   0.00   0.01
    46   1     0.13  -0.03  -0.05    -0.14   0.04   0.08    -0.25  -0.24  -0.06
    47   1     0.13  -0.02  -0.06    -0.21  -0.05   0.08     0.23   0.26  -0.12
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1105.2193              1141.1898              1165.9972
 Red. masses --      1.9134                 1.8149                 1.8750
 Frc consts  --      1.3771                 1.3926                 1.5019
 IR Inten    --      0.4947                 1.9286                 0.0834
 RamAct Fr= 1--      1.7059                 0.5480                 1.6603
  Dep-P Fr= 1--      0.0674                 0.6539                 0.6465
  Dep-U Fr= 1--      0.1263                 0.7908                 0.7853
 Alpha2 Fr= 1--      0.0323                 0.0009                 0.0031
 Beta2  Fr= 1--      0.0359                 0.0722                 0.2173
 AlphaG Fr= 1--      0.0617                 0.0039                -0.0065
 Gamma2 Fr= 1--     -0.3900                -1.4598                 0.7083
 Delta2 Fr= 1--     -0.4244                -0.7457                 0.5493
 Raman1 Fr= 1--       6.824                  2.192                  6.641
 ROA1   Fr= 1--     -51.025               -164.003                 85.570
 CID1   Fr= 1--      -7.478                -74.814                 12.885
 Raman2 Fr= 1--       0.431                  0.867                  2.608
 ROA2   Fr= 1--      -5.965                -29.069                 12.605
 CID2   Fr= 1--     -13.840                -33.538                  4.833
 Raman3 Fr= 1--       0.862                  1.733                  5.216
 ROA3   Fr= 1--     -51.025               -164.003                 85.570
 CID3   Fr= 1--     -59.191                -94.610                 16.407
 RC180  Fr= 1--      -0.747                  0.582                  0.571
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.09   0.07    -0.02  -0.02   0.03    -0.01  -0.02   0.02
     2   6    -0.01  -0.09  -0.03    -0.03   0.07  -0.04     0.02   0.03  -0.04
     3   6     0.06   0.01   0.05    -0.04   0.06   0.00    -0.02   0.06  -0.01
     4   6    -0.09  -0.02  -0.07     0.03  -0.04  -0.00     0.02  -0.03  -0.02
     5   6     0.10   0.06   0.06    -0.02   0.00   0.02    -0.01  -0.00   0.02
     6   6    -0.06  -0.07  -0.08     0.03  -0.00  -0.02     0.01   0.00  -0.01
     7   6     0.00   0.02  -0.02    -0.04   0.00   0.02    -0.04   0.00   0.03
     8   6    -0.01   0.01   0.00    -0.00  -0.05   0.05     0.00  -0.03   0.03
     9   6     0.01  -0.02   0.01     0.05   0.01  -0.07     0.03  -0.00  -0.03
    10   6    -0.02   0.01  -0.00     0.02  -0.01  -0.02    -0.02   0.00   0.01
    11   6     0.02   0.01   0.00     0.03   0.01  -0.02     0.03   0.01  -0.01
    12   6    -0.00  -0.00  -0.00     0.05  -0.02  -0.07    -0.04  -0.02   0.00
    13   6    -0.02  -0.00  -0.01    -0.03  -0.07  -0.04    -0.05   0.04   0.06
    14   6     0.01  -0.01   0.01    -0.04  -0.07   0.00    -0.01   0.13   0.05
    15   6    -0.00   0.01   0.00    -0.05  -0.00   0.03     0.07  -0.01  -0.06
    16   6     0.00   0.00  -0.00    -0.00   0.05   0.04    -0.02  -0.07  -0.02
    17   6     0.02  -0.01   0.03    -0.01   0.01   0.05     0.00  -0.08  -0.01
    18   6    -0.02   0.01  -0.03     0.02   0.02  -0.03    -0.01   0.02   0.02
    19   6     0.00  -0.02   0.03    -0.02  -0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.00   0.02  -0.02     0.04   0.05  -0.00    -0.06  -0.03   0.03
    21  40     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.06   0.04     0.04  -0.24   0.15     0.01  -0.09   0.06
    25   1    -0.01   0.05   0.02     0.03  -0.02   0.00    -0.02   0.00   0.03
    26   1    -0.15  -0.27   0.23    -0.12  -0.01   0.08    -0.01   0.00   0.02
    27   1     0.06   0.11  -0.32     0.03  -0.02   0.01    -0.16  -0.02   0.10
    28   1     0.16  -0.01   0.09     0.03   0.07   0.01     0.04   0.00   0.01
    29   1    -0.24  -0.12   0.05    -0.05   0.02   0.02     0.01  -0.06   0.02
    30   1    -0.21   0.16   0.19     0.03   0.01  -0.02    -0.03  -0.06   0.06
    31   1     0.04  -0.05  -0.31    -0.04  -0.04   0.08     0.02   0.07  -0.04
    32   1    -0.33   0.29   0.10     0.16  -0.02  -0.10    -0.00   0.04  -0.01
    33   1     0.17  -0.09   0.10     0.13  -0.06  -0.06     0.09  -0.04  -0.02
    34   1    -0.02   0.02  -0.06    -0.13   0.15  -0.20    -0.05   0.05  -0.10
    35   1    -0.01   0.06  -0.00     0.23  -0.27   0.29     0.05   0.02   0.08
    36   1     0.02   0.06   0.01     0.23   0.28   0.28     0.04   0.13   0.03
    37   1    -0.02  -0.02   0.02    -0.13  -0.16  -0.18     0.03   0.03   0.09
    38   1     0.01   0.01   0.01     0.04   0.24   0.15     0.00   0.05   0.02
    39   1    -0.02  -0.02   0.03     0.02   0.01   0.02     0.21   0.08  -0.16
    40   1     0.04  -0.05  -0.10    -0.08  -0.04   0.02     0.34  -0.02  -0.28
    41   1    -0.04   0.07   0.03    -0.04   0.07   0.05     0.14   0.01  -0.14
    42   1    -0.02  -0.05   0.03    -0.02  -0.03  -0.04    -0.23  -0.26  -0.02
    43   1     0.04   0.01  -0.07     0.02   0.03  -0.02     0.21   0.16   0.02
    44   1    -0.07   0.05  -0.01    -0.08   0.06   0.00     0.03   0.10   0.16
    45   1     0.09   0.01   0.01     0.07   0.03   0.01    -0.06   0.08   0.12
    46   1     0.09   0.07   0.01     0.14   0.04  -0.05    -0.30  -0.04   0.11
    47   1    -0.03  -0.06   0.02     0.15   0.02  -0.04     0.29   0.01  -0.14
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1167.3161              1172.1209              1174.1955
 Red. masses --      1.5580                 1.3328                 1.3051
 Frc consts  --      1.2508                 1.0789                 1.0601
 IR Inten    --      0.5666                 0.8334                 1.9199
 RamAct Fr= 1--      0.3429                 1.1571                 0.7365
  Dep-P Fr= 1--      0.6404                 0.4754                 0.7029
  Dep-U Fr= 1--      0.7808                 0.6444                 0.8255
 Alpha2 Fr= 1--      0.0007                 0.0064                 0.0006
 Beta2  Fr= 1--      0.0446                 0.1243                 0.1013
 AlphaG Fr= 1--      0.0132                -0.0019                 0.0042
 Gamma2 Fr= 1--     -1.8467                -0.6333                 0.1685
 Delta2 Fr= 1--     -0.3087                 0.5921                 0.5405
 Raman1 Fr= 1--       1.372                  4.628                  2.946
 ROA1   Fr= 1--    -187.164                -41.844                 33.468
 CID1   Fr= 1--    -136.441                 -9.041                 11.360
 Raman2 Fr= 1--       0.536                  1.491                  1.216
 ROA2   Fr= 1--     -41.852                -19.935                 -0.281
 CID2   Fr= 1--     -78.148                -13.368                 -0.231
 Raman3 Fr= 1--       1.071                  2.982                  2.432
 ROA3   Fr= 1--    -187.164                -41.844                 33.468
 CID3   Fr= 1--    -174.743                -14.030                 13.761
 RC180  Fr= 1--       0.562                  0.289                  0.651
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.06  -0.01     0.03   0.00   0.04    -0.04   0.01  -0.04
     2   6    -0.05  -0.05   0.04     0.00  -0.00  -0.05    -0.00   0.01   0.04
     3   6    -0.01  -0.11   0.04    -0.02   0.02  -0.04     0.01  -0.03   0.06
     4   6    -0.02   0.05   0.07     0.03   0.00   0.02    -0.03  -0.00   0.00
     5   6     0.01   0.00  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.02
     6   6    -0.01  -0.02   0.02     0.00   0.00  -0.01     0.00  -0.02   0.02
     7   6     0.05   0.01  -0.05    -0.03   0.01   0.02     0.02   0.00  -0.03
     8   6    -0.02   0.05  -0.01     0.00  -0.03   0.02    -0.01   0.03  -0.00
     9   6    -0.02   0.02  -0.00     0.03  -0.02  -0.01    -0.01   0.03  -0.02
    10   6     0.01  -0.01  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.02   0.00  -0.01     0.01   0.00  -0.01
    12   6     0.00  -0.01  -0.02    -0.03   0.00   0.02    -0.01  -0.01  -0.02
    13   6    -0.01   0.00   0.00    -0.01   0.00   0.06     0.00  -0.01   0.04
    14   6    -0.02   0.03   0.02     0.05   0.02   0.02     0.02   0.02   0.04
    15   6     0.01  -0.01  -0.01     0.03   0.01  -0.02     0.01   0.00  -0.02
    16   6    -0.01  -0.01   0.00    -0.00  -0.02  -0.01    -0.01  -0.02   0.00
    17   6    -0.00  -0.03   0.01    -0.01   0.01  -0.04    -0.02   0.00  -0.03
    18   6    -0.00   0.01   0.01     0.00  -0.01   0.01     0.01   0.01   0.01
    19   6     0.01  -0.01  -0.01     0.01  -0.01   0.00     0.01  -0.02  -0.00
    20   6    -0.01  -0.01   0.01    -0.04   0.01  -0.02    -0.04   0.02  -0.02
    21  40     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    22  17    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.06   0.03     0.01  -0.01   0.02     0.01  -0.12   0.06
    25   1     0.18  -0.07  -0.14    -0.04   0.01   0.03     0.15  -0.06  -0.10
    26   1    -0.16  -0.06   0.08    -0.29  -0.08   0.19     0.24   0.07  -0.17
    27   1     0.42   0.06  -0.29     0.02   0.01  -0.06     0.06   0.00   0.01
    28   1    -0.07   0.01  -0.01     0.14  -0.14   0.03    -0.20   0.22  -0.04
    29   1    -0.12   0.24  -0.04    -0.18   0.21  -0.00     0.18  -0.20   0.00
    30   1     0.14   0.24  -0.23     0.09   0.16  -0.13    -0.06  -0.11   0.09
    31   1    -0.09  -0.26   0.17    -0.01   0.00   0.02    -0.03  -0.11   0.05
    32   1     0.20  -0.15  -0.09     0.23  -0.09  -0.14    -0.17   0.07   0.11
    33   1    -0.15   0.09  -0.00    -0.19   0.05   0.09     0.27  -0.07  -0.16
    34   1     0.01  -0.01   0.02    -0.03   0.03  -0.08    -0.00  -0.00   0.01
    35   1     0.05  -0.09   0.06    -0.00   0.07   0.02     0.07  -0.08   0.08
    36   1     0.06   0.05   0.08    -0.01   0.05  -0.04     0.05   0.06   0.06
    37   1    -0.02  -0.02  -0.04     0.01   0.01   0.07    -0.01  -0.01  -0.00
    38   1     0.01   0.10   0.06    -0.02  -0.10  -0.06    -0.01   0.05   0.02
    39   1     0.10   0.04  -0.07    -0.02  -0.02   0.02     0.09   0.03  -0.04
    40   1     0.11  -0.02  -0.11    -0.15   0.03   0.17    -0.14   0.02   0.15
    41   1    -0.01   0.01  -0.00     0.30  -0.04  -0.22     0.28  -0.03  -0.21
    42   1    -0.09  -0.10  -0.01     0.02   0.03   0.00    -0.03  -0.03   0.00
    43   1     0.10   0.08   0.01    -0.18  -0.18  -0.05    -0.14  -0.14  -0.05
    44   1     0.01   0.03   0.04    -0.04   0.13   0.14    -0.06   0.17   0.18
    45   1    -0.02   0.05   0.07     0.08  -0.19  -0.22     0.08  -0.18  -0.21
    46   1    -0.10  -0.02   0.03     0.22   0.07  -0.04     0.22   0.08  -0.04
    47   1     0.16   0.01  -0.07    -0.22  -0.08   0.10    -0.09  -0.07   0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1185.9456              1201.5695              1215.9509
 Red. masses --      1.5694                 1.6277                 1.5724
 Frc consts  --      1.3005                 1.3846                 1.3698
 IR Inten    --      0.2102                 0.8026                 1.0355
 RamAct Fr= 1--      4.1643                 0.9114                 1.9458
  Dep-P Fr= 1--      0.1324                 0.7493                 0.3007
  Dep-U Fr= 1--      0.2338                 0.8567                 0.4623
 Alpha2 Fr= 1--      0.0673                 0.0000                 0.0199
 Beta2  Fr= 1--      0.1623                 0.1301                 0.1499
 AlphaG Fr= 1--     -0.0213                -0.0006                -0.0321
 Gamma2 Fr= 1--     -4.2724                 3.0629                -1.9488
 Delta2 Fr= 1--     -2.7076                 1.6555                -0.8666
 Raman1 Fr= 1--      16.657                  3.646                  7.783
 ROA1   Fr= 1--    -496.797                347.018               -214.819
 CID1   Fr= 1--     -29.825                 95.190                -27.600
 Raman2 Fr= 1--       1.947                  1.562                  1.799
 ROA2   Fr= 1--     -80.878                 60.267                -39.839
 CID2   Fr= 1--     -41.535                 38.594                -22.143
 Raman3 Fr= 1--       3.894                  3.123                  3.598
 ROA3   Fr= 1--    -496.797                347.018               -214.819
 CID3   Fr= 1--    -127.566                111.113                -59.700
 RC180  Fr= 1--      -0.532                  0.713                 -0.075
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01  -0.02    -0.05   0.00   0.02    -0.04  -0.00   0.01
     2   6    -0.03  -0.03   0.06     0.03   0.02  -0.06     0.01   0.01  -0.03
     3   6     0.03  -0.01  -0.04     0.02   0.02  -0.02     0.07   0.01  -0.06
     4   6     0.01   0.02  -0.03    -0.01  -0.02   0.04    -0.01  -0.01   0.02
     5   6    -0.01  -0.03   0.01    -0.00   0.04  -0.02    -0.01   0.04  -0.01
     6   6    -0.02   0.04  -0.01     0.03  -0.05   0.01     0.03  -0.03   0.00
     7   6     0.03  -0.03   0.00    -0.02   0.02   0.00     0.00  -0.01   0.00
     8   6     0.00   0.02  -0.03     0.02  -0.04   0.01     0.00  -0.04   0.02
     9   6    -0.05   0.01   0.05     0.03  -0.07   0.03     0.00  -0.07   0.05
    10   6     0.04  -0.00  -0.02    -0.01   0.02   0.01     0.01   0.03  -0.02
    11   6    -0.04  -0.00   0.02    -0.02  -0.02   0.02    -0.01   0.03   0.02
    12   6     0.05  -0.00  -0.05     0.03   0.07   0.02    -0.01  -0.08  -0.05
    13   6     0.03  -0.04  -0.04     0.04  -0.03  -0.06    -0.02   0.02   0.03
    14   6    -0.04  -0.00   0.04     0.01  -0.02  -0.03    -0.05   0.01   0.06
    15   6    -0.03  -0.03  -0.00    -0.03  -0.02   0.00     0.00   0.00  -0.00
    16   6    -0.01   0.02   0.03     0.02   0.04   0.01    -0.01  -0.04  -0.02
    17   6    -0.04  -0.02   0.02    -0.04  -0.02   0.04     0.03   0.01  -0.03
    18   6     0.02   0.04   0.02     0.03   0.04   0.02    -0.03  -0.03  -0.01
    19   6     0.01  -0.03  -0.02    -0.01  -0.04  -0.03     0.02   0.03   0.03
    20   6    -0.03   0.04   0.00    -0.02   0.03   0.02     0.01  -0.01  -0.03
    21  40    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1    -0.04   0.20  -0.11    -0.03   0.17  -0.10    -0.08   0.32  -0.17
    25   1    -0.16   0.06   0.10    -0.13   0.09   0.07    -0.30   0.16   0.19
    26   1     0.07   0.01  -0.03    -0.10  -0.01   0.04    -0.05   0.00   0.01
    27   1    -0.09  -0.01   0.06     0.15   0.00  -0.07     0.18  -0.00  -0.07
    28   1     0.18  -0.23   0.03    -0.19   0.27  -0.03    -0.13   0.20  -0.02
    29   1    -0.05   0.07  -0.00     0.06  -0.08   0.01     0.05  -0.08   0.01
    30   1    -0.03  -0.07   0.05     0.05   0.09  -0.07     0.04   0.05  -0.04
    31   1     0.09   0.22  -0.16    -0.10  -0.22   0.20    -0.07  -0.11   0.15
    32   1    -0.09   0.02   0.05     0.04  -0.01  -0.00    -0.04   0.02   0.05
    33   1    -0.28   0.07   0.19     0.17  -0.05  -0.11    -0.01  -0.01   0.02
    34   1    -0.02   0.03   0.09     0.00   0.01   0.01    -0.08   0.11  -0.05
    35   1    -0.02  -0.08  -0.07    -0.16   0.20  -0.20    -0.06   0.05  -0.11
    36   1     0.03  -0.07   0.09    -0.14  -0.19  -0.17     0.09   0.09   0.14
    37   1     0.02   0.02  -0.08    -0.00  -0.01  -0.01     0.07   0.10   0.02
    38   1     0.03   0.20   0.12    -0.02  -0.14  -0.09     0.08   0.31   0.17
    39   1     0.19   0.07  -0.10    -0.13  -0.08   0.06     0.30   0.15  -0.16
    40   1    -0.11  -0.02   0.09    -0.06  -0.03   0.04     0.01   0.02   0.00
    41   1     0.12   0.00  -0.09     0.08   0.02  -0.06    -0.10  -0.03   0.07
    42   1    -0.17  -0.19  -0.03    -0.22  -0.23  -0.07     0.18   0.18   0.07
    43   1     0.02   0.01  -0.02     0.09   0.09   0.02    -0.10  -0.10  -0.04
    44   1    -0.08   0.22   0.24    -0.09   0.19   0.20     0.07  -0.11  -0.11
    45   1     0.08  -0.10  -0.13     0.03  -0.04  -0.06     0.00   0.00   0.01
    46   1     0.13   0.06  -0.03    -0.02   0.01  -0.01     0.10   0.02  -0.01
    47   1     0.29  -0.02  -0.11     0.26   0.03  -0.10    -0.06  -0.04   0.02
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1224.8508              1242.4046              1277.5573
 Red. masses --      1.3726                 1.3093                 1.2551
 Frc consts  --      1.2132                 1.1907                 1.2069
 IR Inten    --      1.0867                 0.0141                 2.5236
 RamAct Fr= 1--      1.1884                 7.8847                 0.7944
  Dep-P Fr= 1--      0.4876                 0.3612                 0.7467
  Dep-U Fr= 1--      0.6556                 0.5307                 0.8550
 Alpha2 Fr= 1--      0.0062                 0.0667                 0.0000
 Beta2  Fr= 1--      0.1298                 0.6974                 0.1132
 AlphaG Fr= 1--     -0.0057                 0.0710                -0.0048
 Gamma2 Fr= 1--     -1.4135                 5.5865                 1.5538
 Delta2 Fr= 1--     -0.7960                -1.2456                 0.6033
 Raman1 Fr= 1--       4.754                 31.539                  3.178
 ROA1   Fr= 1--    -161.164                496.442                168.465
 CID1   Fr= 1--     -33.903                 15.741                 53.017
 Raman2 Fr= 1--       1.558                  8.368                  1.358
 ROA2   Fr= 1--     -27.556                144.041                 32.464
 CID2   Fr= 1--     -17.685                 17.213                 23.900
 Raman3 Fr= 1--       3.116                 16.737                  2.717
 ROA3   Fr= 1--    -161.164                496.442                168.465
 CID3   Fr= 1--     -51.717                 29.662                 62.011
 RC180  Fr= 1--       0.311                  0.061                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.02     0.00   0.00  -0.01    -0.01   0.01   0.01
     2   6     0.04  -0.00  -0.04    -0.01  -0.01   0.02     0.01   0.01   0.02
     3   6    -0.07   0.02   0.04     0.00  -0.01   0.00    -0.01  -0.02  -0.02
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00    -0.01  -0.01  -0.00
     5   6     0.02  -0.01   0.00    -0.00  -0.00  -0.00     0.05   0.05   0.08
     6   6    -0.02  -0.01  -0.00    -0.00   0.00   0.00    -0.03  -0.04  -0.07
     7   6    -0.03   0.03   0.01     0.01   0.00  -0.01     0.01  -0.00   0.00
     8   6     0.01  -0.00  -0.01     0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.03   0.03  -0.02    -0.03  -0.01  -0.02    -0.01   0.00  -0.00
    10   6    -0.02  -0.00   0.01     0.01  -0.02   0.10     0.00  -0.00  -0.00
    11   6    -0.02   0.01   0.02    -0.01  -0.02  -0.10     0.00  -0.00  -0.00
    12   6     0.02  -0.04  -0.03     0.03  -0.01   0.02     0.00  -0.00  -0.00
    13   6     0.04   0.00  -0.03     0.02  -0.01  -0.03     0.00  -0.00  -0.00
    14   6    -0.06  -0.02   0.05    -0.01  -0.01  -0.00     0.01  -0.00  -0.00
    15   6    -0.03  -0.02   0.01    -0.01  -0.00   0.01     0.00   0.00   0.00
    16   6     0.01  -0.01  -0.01     0.00   0.01  -0.00    -0.00  -0.00   0.00
    17   6     0.01   0.01  -0.01    -0.00   0.00   0.01    -0.00  -0.00   0.00
    18   6    -0.01   0.00   0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    19   6     0.02   0.01   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    20   6    -0.00   0.01  -0.01     0.00   0.01   0.00     0.00  -0.00   0.00
    21  40    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.08  -0.23   0.12    -0.01   0.02  -0.02    -0.01   0.02  -0.01
    25   1     0.24  -0.12  -0.15     0.03  -0.00  -0.01    -0.02  -0.00   0.00
    26   1    -0.04  -0.02   0.04     0.02   0.01  -0.02     0.45  -0.02  -0.18
    27   1    -0.19   0.01   0.06     0.03   0.00  -0.01    -0.21   0.01   0.07
    28   1     0.02  -0.06   0.01     0.00  -0.01  -0.00    -0.04   0.21   0.02
    29   1    -0.06   0.04  -0.00     0.00   0.01  -0.00    -0.03  -0.29   0.04
    30   1     0.01   0.06  -0.03    -0.00  -0.01   0.00    -0.03   0.26   0.03
    31   1     0.00  -0.05  -0.03     0.00   0.00   0.00    -0.04  -0.16  -0.02
    32   1     0.13  -0.03  -0.09    -0.03   0.00   0.02     0.43  -0.05  -0.36
    33   1     0.13  -0.03  -0.11    -0.01   0.00   0.00    -0.29   0.04   0.25
    34   1     0.17  -0.19   0.20    -0.29   0.34  -0.47    -0.01   0.01  -0.00
    35   1    -0.16   0.21  -0.21     0.06  -0.02   0.16     0.02  -0.01   0.02
    36   1    -0.14  -0.20  -0.17    -0.08  -0.05  -0.19     0.00  -0.00  -0.00
    37   1     0.15   0.18   0.16     0.31   0.36   0.48     0.01   0.01   0.02
    38   1     0.08   0.25   0.13     0.02   0.03   0.03    -0.01   0.00  -0.00
    39   1     0.27   0.12  -0.15    -0.00   0.01  -0.01    -0.01  -0.00   0.01
    40   1    -0.08  -0.01   0.06    -0.04  -0.01   0.03     0.02   0.00  -0.01
    41   1    -0.14  -0.04   0.10    -0.05   0.00   0.04    -0.00   0.00  -0.00
    42   1     0.05   0.05   0.06    -0.00  -0.01   0.01    -0.01  -0.01  -0.01
    43   1    -0.06  -0.06  -0.03    -0.00  -0.00  -0.00     0.01   0.01   0.01
    44   1     0.03  -0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.01   0.01
    45   1     0.03  -0.04  -0.04     0.01  -0.00  -0.00    -0.01  -0.00  -0.01
    46   1     0.10   0.03  -0.02     0.01   0.00  -0.01     0.01  -0.00  -0.01
    47   1     0.16  -0.03  -0.06     0.05  -0.00  -0.02    -0.03   0.00   0.01
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1278.2345              1290.5615              1296.8653
 Red. masses --      1.2589                 1.4231                 1.3389
 Frc consts  --      1.2119                 1.3965                 1.3267
 IR Inten    --      3.1311                 1.5080                 1.4843
 RamAct Fr= 1--      1.7023                12.7977                 8.9956
  Dep-P Fr= 1--      0.6649                 0.1779                 0.7161
  Dep-U Fr= 1--      0.7987                 0.3020                 0.8346
 Alpha2 Fr= 1--      0.0026                 0.1842                 0.0053
 Beta2  Fr= 1--      0.2266                 0.6442                 1.2513
 AlphaG Fr= 1--     -0.0495                 0.1969                 0.0124
 Gamma2 Fr= 1--     -2.0295                 9.4033                -6.5565
 Delta2 Fr= 1--     -0.8126                 3.2129                -3.1808
 Raman1 Fr= 1--       6.809                 51.191                 35.982
 ROA1   Fr= 1--    -220.836               1005.531               -731.205
 CID1   Fr= 1--     -32.431                 19.643                -20.321
 Raman2 Fr= 1--       2.719                  7.730                 15.015
 ROA2   Fr= 1--     -42.207                199.976               -131.909
 CID2   Fr= 1--     -15.521                 25.869                 -8.785
 Raman3 Fr= 1--       5.439                 15.460                 30.030
 ROA3   Fr= 1--    -220.836               1005.531               -731.205
 CID3   Fr= 1--     -40.605                 65.039                -24.349
 RC180  Fr= 1--       0.597                 -0.396                  0.669
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04  -0.01  -0.01     0.04   0.01   0.01
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.02   0.01   0.03
     3   6     0.00   0.00   0.00     0.03  -0.02  -0.02    -0.02   0.02   0.01
     4   6     0.00   0.00   0.00     0.01  -0.00  -0.04    -0.01   0.00   0.04
     5   6    -0.00  -0.00  -0.00    -0.02   0.01   0.03     0.02  -0.01  -0.03
     6   6     0.00   0.00   0.00     0.04   0.01   0.01    -0.04  -0.01  -0.02
     7   6    -0.00   0.00  -0.00     0.01  -0.03   0.02     0.00   0.02  -0.03
     8   6     0.00  -0.00   0.00    -0.04   0.03   0.02     0.03  -0.03  -0.01
     9   6     0.00  -0.00   0.00     0.03   0.03  -0.04    -0.02  -0.03   0.03
    10   6     0.00   0.00   0.00    -0.03   0.00   0.00     0.02  -0.01  -0.00
    11   6    -0.00   0.00  -0.00     0.03  -0.00  -0.00     0.02   0.01  -0.00
    12   6     0.00  -0.00  -0.00    -0.03   0.03   0.04    -0.02   0.03   0.03
    13   6    -0.01   0.01  -0.03    -0.01   0.01   0.00    -0.03  -0.00   0.01
    14   6     0.02  -0.01   0.02    -0.04  -0.02   0.01    -0.03  -0.01   0.00
    15   6     0.00   0.01   0.00    -0.00  -0.04  -0.02     0.01  -0.03  -0.02
    16   6    -0.01  -0.00   0.00     0.04   0.03  -0.02     0.03   0.03  -0.01
    17   6    -0.02   0.01  -0.01     0.02   0.03  -0.04     0.02   0.03  -0.03
    18   6     0.05  -0.06   0.08    -0.02  -0.02   0.02    -0.02  -0.02   0.02
    19   6    -0.03   0.05  -0.07     0.05  -0.01   0.02     0.04  -0.02   0.02
    20   6    -0.01   0.01   0.01    -0.04   0.03  -0.00    -0.03   0.02  -0.00
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00   0.00    -0.01  -0.12   0.11    -0.01   0.14  -0.11
    25   1    -0.00   0.00  -0.00    -0.01  -0.03   0.04    -0.03   0.05  -0.01
    26   1    -0.02   0.00   0.01    -0.16   0.03   0.04     0.24  -0.03  -0.07
    27   1     0.01  -0.00  -0.00     0.29  -0.01  -0.10    -0.28   0.01   0.10
    28   1     0.00  -0.01  -0.00    -0.07   0.17  -0.01     0.09  -0.18   0.01
    29   1     0.00   0.01  -0.00     0.16  -0.14   0.01    -0.17   0.12  -0.01
    30   1     0.00  -0.01  -0.00    -0.08  -0.13   0.14     0.08   0.14  -0.14
    31   1     0.00   0.01   0.00     0.04   0.16  -0.05    -0.05  -0.17   0.06
    32   1    -0.02   0.00   0.01     0.01   0.03  -0.05    -0.02  -0.02   0.05
    33   1     0.02  -0.00  -0.01    -0.27   0.05   0.23     0.24  -0.04  -0.20
    34   1     0.01  -0.01  -0.02     0.06  -0.08  -0.00    -0.09   0.11  -0.13
    35   1    -0.01  -0.01  -0.00     0.07  -0.05   0.14     0.04  -0.06   0.04
    36   1     0.01   0.01   0.01    -0.09  -0.05  -0.15     0.03   0.05   0.03
    37   1     0.01   0.01  -0.00    -0.05  -0.07  -0.01    -0.11  -0.12  -0.13
    38   1    -0.00   0.02   0.02     0.01  -0.12  -0.10    -0.01  -0.14  -0.11
    39   1    -0.02  -0.01   0.02     0.01  -0.03  -0.04    -0.03  -0.05  -0.01
    40   1     0.45   0.12  -0.30     0.06   0.05  -0.03     0.09   0.06  -0.05
    41   1    -0.31  -0.08   0.22    -0.22  -0.06   0.16    -0.17  -0.04   0.12
    42   1    -0.07  -0.03  -0.12     0.15   0.15   0.10     0.17   0.17   0.10
    43   1     0.02   0.07   0.23    -0.16  -0.17  -0.04    -0.17  -0.17  -0.04
    44   1     0.03   0.13   0.23     0.02   0.07   0.11     0.01   0.07   0.11
    45   1    -0.12  -0.18  -0.25     0.10  -0.12  -0.12     0.10  -0.11  -0.11
    46   1     0.41  -0.01  -0.18    -0.07   0.05   0.04    -0.12   0.04   0.06
    47   1    -0.21   0.03   0.09     0.37  -0.03  -0.15     0.32  -0.03  -0.13
                     82                     83                     84
                      A                      A                      A
 Frequencies --   1310.6630              1315.4691              1349.4559
 Red. masses --      1.8282                 1.7671                 1.6994
 Frc consts  --      1.8504                 1.8016                 1.8233
 IR Inten    --      4.0182                 1.5265                 0.1477
 RamAct Fr= 1--     10.6644                18.5124                 4.7318
  Dep-P Fr= 1--      0.2203                 0.0598                 0.3411
  Dep-U Fr= 1--      0.3611                 0.1129                 0.5087
 Alpha2 Fr= 1--      0.1372                 0.3572                 0.0428
 Beta2  Fr= 1--      0.6418                 0.3484                 0.4011
 AlphaG Fr= 1--      0.1663                 0.5951                -0.1483
 Gamma2 Fr= 1--     -2.7551                 2.0420                 0.9654
 Delta2 Fr= 1--     -0.1717                -1.0578                -2.3734
 Raman1 Fr= 1--      42.658                 74.050                 18.927
 ROA1   Fr= 1--    -269.981                162.179                 16.734
 CID1   Fr= 1--      -6.329                  2.190                  0.884
 Raman2 Fr= 1--       7.702                  4.180                  4.814
 ROA2   Fr= 1--     -64.748                 57.469                 42.158
 CID2   Fr= 1--      -8.407                 13.747                  8.758
 Raman3 Fr= 1--      15.403                  8.361                  9.627
 ROA3   Fr= 1--    -269.981                162.179                 16.734
 CID3   Fr= 1--     -17.527                 19.397                  1.738
 RC180  Fr= 1--      -0.278                 -0.774                  0.017
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.00  -0.03     0.00  -0.00   0.01    -0.07  -0.00   0.05
     2   6    -0.04  -0.03   0.06    -0.01   0.01   0.00    -0.04   0.01   0.04
     3   6    -0.09   0.01   0.06     0.02  -0.01  -0.01    -0.00  -0.00   0.01
     4   6    -0.02  -0.00  -0.03     0.00   0.00   0.01     0.01   0.00  -0.01
     5   6     0.01  -0.02   0.03    -0.00   0.00  -0.01    -0.01  -0.00  -0.02
     6   6     0.02   0.04   0.02    -0.01  -0.00  -0.01     0.01   0.02  -0.02
     7   6    -0.05   0.11  -0.04     0.01  -0.02  -0.00    -0.02   0.05  -0.02
     8   6     0.10  -0.06  -0.05    -0.02   0.01   0.01     0.02  -0.06   0.03
     9   6     0.01  -0.10   0.05     0.00   0.01  -0.01     0.06  -0.04  -0.02
    10   6     0.03  -0.00   0.02    -0.02  -0.01   0.00    -0.07   0.04  -0.04
    11   6    -0.01   0.01   0.01     0.03  -0.00   0.01     0.07   0.04   0.03
    12   6     0.01   0.03   0.00     0.01   0.09   0.05    -0.07  -0.04   0.02
    13   6    -0.03   0.00   0.02    -0.03   0.04   0.05     0.05   0.01  -0.02
    14   6    -0.02  -0.00   0.02    -0.08  -0.03   0.07     0.00  -0.01  -0.02
    15   6    -0.01  -0.02  -0.02    -0.06  -0.11  -0.03     0.01   0.04   0.03
    16   6     0.02   0.01  -0.01     0.10   0.05  -0.05    -0.01  -0.05  -0.03
    17   6    -0.00  -0.00   0.00    -0.01  -0.03   0.01     0.05  -0.00  -0.04
    18   6    -0.00  -0.01  -0.01     0.01   0.00  -0.03    -0.00   0.02   0.02
    19   6     0.00   0.01   0.00    -0.02   0.04  -0.01    -0.01   0.01  -0.01
    20   6     0.00  -0.00  -0.00     0.01  -0.02   0.01     0.00   0.00   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.06   0.11  -0.17    -0.02  -0.00   0.02    -0.03   0.12  -0.07
    25   1     0.22  -0.02  -0.21    -0.05   0.01   0.04    -0.00   0.05  -0.03
    26   1    -0.05   0.03  -0.02     0.08  -0.01  -0.02     0.41  -0.03  -0.15
    27   1     0.31  -0.00  -0.10    -0.06  -0.00   0.02     0.27  -0.01  -0.08
    28   1     0.02   0.03   0.01     0.03  -0.04   0.00     0.20  -0.20   0.02
    29   1     0.15  -0.06  -0.01    -0.05   0.03  -0.00    -0.14   0.16  -0.00
    30   1    -0.13  -0.23   0.22     0.03   0.04  -0.05     0.00  -0.09   0.01
    31   1     0.12   0.26  -0.21    -0.02  -0.06   0.04     0.01   0.02  -0.02
    32   1     0.28  -0.02  -0.27    -0.06   0.00   0.06    -0.06   0.01   0.05
    33   1     0.00  -0.01   0.01     0.01   0.00  -0.01     0.01  -0.00  -0.01
    34   1    -0.14   0.17  -0.18    -0.05   0.02  -0.08     0.04  -0.06   0.01
    35   1    -0.15   0.13  -0.23     0.10  -0.06   0.16     0.16  -0.08   0.27
    36   1     0.04   0.02   0.08    -0.17  -0.15  -0.26    -0.16  -0.09  -0.26
    37   1    -0.09  -0.08  -0.16    -0.11  -0.14  -0.12    -0.03  -0.05   0.01
    38   1     0.01  -0.03  -0.03     0.08  -0.06  -0.14     0.02   0.11   0.06
    39   1     0.05  -0.00  -0.04     0.27   0.04  -0.21     0.01   0.05   0.03
    40   1     0.05   0.01  -0.04     0.05  -0.02  -0.03    -0.26  -0.07   0.19
    41   1     0.06   0.01  -0.05     0.23   0.05  -0.18    -0.19  -0.05   0.14
    42   1     0.03   0.03  -0.00    -0.05  -0.04  -0.07    -0.19  -0.19  -0.03
    43   1    -0.01  -0.01  -0.01     0.11   0.10  -0.00     0.12   0.10   0.03
    44   1     0.02  -0.04  -0.04     0.08  -0.18  -0.21    -0.02   0.02   0.02
    45   1    -0.01   0.02   0.03    -0.12   0.15   0.16    -0.04  -0.03  -0.04
    46   1     0.07  -0.00  -0.02     0.46  -0.03  -0.19     0.03  -0.01  -0.02
    47   1    -0.01  -0.00   0.00    -0.08   0.02   0.03    -0.01   0.01   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   1356.7759              1361.7742              1369.4842
 Red. masses --      1.4449                 1.4369                 1.4830
 Frc consts  --      1.5671                 1.5700                 1.6387
 IR Inten    --      0.7954                 4.3818                 1.1303
 RamAct Fr= 1--      1.5309                 3.0278                 4.9285
  Dep-P Fr= 1--      0.6656                 0.7373                 0.6329
  Dep-U Fr= 1--      0.7992                 0.8488                 0.7752
 Alpha2 Fr= 1--      0.0023                 0.0007                 0.0105
 Beta2  Fr= 1--      0.2039                 0.4283                 0.6367
 AlphaG Fr= 1--      0.0027                 0.0200                 0.0399
 Gamma2 Fr= 1--     -1.1557                 0.6130                 4.7960
 Delta2 Fr= 1--     -0.2576                 0.6279                 3.4948
 Raman1 Fr= 1--       6.124                 12.111                 19.714
 ROA1   Fr= 1--    -119.191                 78.938                572.247
 CID1   Fr= 1--     -19.464                  6.518                 29.027
 Raman2 Fr= 1--       2.447                  5.140                  7.641
 ROA2   Fr= 1--     -25.676                  9.687                 87.145
 CID2   Fr= 1--     -10.492                  1.885                 11.405
 Raman3 Fr= 1--       4.894                 10.280                 15.282
 ROA3   Fr= 1--    -119.191                 78.938                572.247
 CID3   Fr= 1--     -24.354                  7.679                 37.447
 RC180  Fr= 1--       0.598                  0.698                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.00   0.06    -0.03   0.00   0.02    -0.04   0.01   0.03
     2   6     0.00  -0.00   0.01     0.02  -0.02   0.00     0.01   0.02  -0.02
     3   6     0.00   0.01  -0.01    -0.00   0.02  -0.01     0.01  -0.02   0.01
     4   6     0.07  -0.01  -0.03     0.06  -0.01  -0.03    -0.06   0.02   0.03
     5   6    -0.03   0.01  -0.01    -0.02   0.01   0.01     0.00  -0.01  -0.01
     6   6     0.02   0.00  -0.03    -0.00   0.00  -0.02     0.04  -0.03   0.00
     7   6    -0.04   0.01   0.03    -0.03  -0.00   0.04     0.02  -0.00  -0.02
     8   6     0.00   0.00  -0.01     0.01   0.02  -0.03    -0.02  -0.02   0.03
     9   6     0.03  -0.01  -0.03    -0.01   0.01  -0.00     0.03  -0.01  -0.01
    10   6     0.01  -0.01   0.02     0.05  -0.03   0.03    -0.02   0.05  -0.03
    11   6    -0.02  -0.01   0.00    -0.03  -0.01  -0.03    -0.04  -0.06  -0.05
    12   6     0.05   0.02  -0.03    -0.02   0.00   0.02     0.03   0.01  -0.01
    13   6    -0.02  -0.01   0.00    -0.01  -0.01   0.01    -0.01  -0.02  -0.01
    14   6     0.00   0.00  -0.00     0.00   0.01   0.02     0.01   0.02   0.01
    15   6    -0.02  -0.02   0.00     0.04   0.00  -0.04     0.02  -0.01  -0.03
    16   6     0.00   0.01   0.01    -0.00   0.01   0.01    -0.01   0.04   0.04
    17   6    -0.07   0.00   0.04     0.07   0.00  -0.04    -0.02   0.01   0.02
    18   6     0.01  -0.02  -0.02    -0.02   0.02   0.01    -0.01   0.00  -0.01
    19   6    -0.00  -0.02   0.01     0.02   0.02  -0.02     0.03  -0.01  -0.03
    20   6     0.04   0.01  -0.02    -0.08  -0.02   0.04    -0.06  -0.01   0.03
    21  40     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.03  -0.11   0.05     0.05  -0.13   0.05    -0.05   0.08  -0.02
    25   1     0.11  -0.07  -0.05     0.11  -0.08  -0.04    -0.10   0.06   0.05
    26   1     0.43  -0.05  -0.15     0.13  -0.02  -0.04     0.20  -0.04  -0.06
    27   1     0.27   0.00  -0.09     0.09   0.00  -0.04     0.05   0.01  -0.01
    28   1     0.14  -0.11   0.01     0.01  -0.00  -0.01     0.03   0.00   0.01
    29   1    -0.17   0.13   0.01    -0.03  -0.04   0.02    -0.18   0.31  -0.03
    30   1     0.08   0.03  -0.09     0.08   0.11  -0.11    -0.07  -0.19   0.11
    31   1    -0.06  -0.06   0.08    -0.06  -0.09   0.09     0.08   0.20  -0.13
    32   1    -0.25   0.03   0.22    -0.19   0.02   0.18     0.15   0.00  -0.15
    33   1    -0.15   0.03   0.12    -0.13   0.02   0.10     0.11  -0.01  -0.11
    34   1     0.01  -0.01  -0.00    -0.01   0.04  -0.08     0.14  -0.13   0.26
    35   1    -0.11   0.12  -0.16    -0.18   0.11  -0.27     0.04  -0.04   0.07
    36   1    -0.01  -0.06   0.00     0.19   0.13   0.27     0.11   0.08   0.18
    37   1     0.01   0.02   0.00    -0.05  -0.02  -0.03     0.14   0.14   0.27
    38   1    -0.00   0.02   0.01    -0.04  -0.12  -0.06    -0.05  -0.12  -0.05
    39   1     0.04   0.01  -0.02    -0.11  -0.07   0.04    -0.10  -0.08   0.03
    40   1     0.28   0.08  -0.19    -0.27  -0.09   0.16     0.06   0.03  -0.03
    41   1     0.19   0.05  -0.14    -0.17  -0.06   0.14     0.05   0.03  -0.04
    42   1     0.16   0.15   0.02    -0.11  -0.09  -0.01     0.13   0.13   0.05
    43   1    -0.13  -0.10  -0.00     0.10   0.06  -0.03    -0.06  -0.08  -0.06
    44   1    -0.03   0.04   0.05     0.07  -0.09  -0.11     0.05  -0.05  -0.04
    45   1     0.07  -0.01  -0.02    -0.10   0.07   0.11    -0.06   0.17   0.22
    46   1    -0.21   0.02   0.09     0.37  -0.04  -0.16     0.27  -0.03  -0.12
    47   1    -0.09  -0.00   0.04     0.18  -0.01  -0.08     0.13  -0.01  -0.05
                     88                     89                     90
                      A                      A                      A
 Frequencies --   1370.8648              1374.9423              1375.3598
 Red. masses --      1.5332                 1.7070                 1.5263
 Frc consts  --      1.6976                 1.9013                 1.7011
 IR Inten    --      1.3649                 0.4529                 1.5698
 RamAct Fr= 1--      8.7961                 7.2877                 6.2827
  Dep-P Fr= 1--      0.3464                 0.3704                 0.2179
  Dep-U Fr= 1--      0.5145                 0.5405                 0.3578
 Alpha2 Fr= 1--      0.0781                 0.0598                 0.0813
 Beta2  Fr= 1--      0.7543                 0.6565                 0.3747
 AlphaG Fr= 1--      0.0206                 0.0728                -0.0775
 Gamma2 Fr= 1--     -2.2487                -2.2395                -2.2152
 Delta2 Fr= 1--     -1.1239                -1.6081                -1.5166
 Raman1 Fr= 1--      35.184                 29.151                 25.131
 ROA1   Fr= 1--    -251.838               -266.448               -261.186
 CID1   Fr= 1--      -7.158                 -9.140                -10.393
 Raman2 Fr= 1--       9.052                  7.879                  4.496
 ROA2   Fr= 1--     -44.976                -40.883                -41.032
 CID2   Fr= 1--      -4.969                 -5.189                 -9.126
 Raman3 Fr= 1--      18.103                 15.757                  8.992
 ROA3   Fr= 1--    -251.838               -266.448               -261.186
 CID3   Fr= 1--     -13.911                -16.910                -29.046
 RC180  Fr= 1--       0.029                  0.081                 -0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.02   0.02    -0.00   0.02  -0.01     0.01  -0.01  -0.00
     2   6     0.01   0.04  -0.02     0.01  -0.03   0.01    -0.01   0.02  -0.00
     3   6     0.01  -0.03   0.02    -0.00   0.02  -0.01     0.00  -0.01   0.01
     4   6    -0.03   0.02   0.01     0.01   0.00  -0.01    -0.00  -0.00  -0.00
     5   6    -0.03  -0.03   0.02    -0.03  -0.03   0.02     0.01   0.01  -0.01
     6   6     0.08  -0.09  -0.00     0.03  -0.04  -0.01    -0.02   0.02   0.00
     7   6     0.05  -0.05  -0.01    -0.02   0.01   0.01     0.01  -0.01  -0.01
     8   6    -0.04   0.06  -0.00     0.02  -0.00  -0.02    -0.01   0.01   0.01
     9   6    -0.00  -0.00  -0.02    -0.02   0.00   0.02     0.01  -0.00  -0.02
    10   6     0.03  -0.06   0.05     0.01   0.02  -0.01     0.00  -0.03   0.03
    11   6     0.02   0.05   0.03    -0.01  -0.02  -0.04     0.03   0.05   0.05
    12   6    -0.01   0.00  -0.01    -0.04  -0.02   0.04     0.01  -0.01  -0.04
    13   6    -0.01  -0.01  -0.00     0.00   0.06   0.04    -0.00  -0.05  -0.03
    14   6    -0.00   0.01   0.01    -0.02  -0.06  -0.03     0.02   0.03   0.02
    15   6     0.02   0.02  -0.00    -0.07  -0.04   0.03     0.03   0.03  -0.00
    16   6    -0.01  -0.03  -0.01     0.05   0.04  -0.03    -0.03  -0.03   0.02
    17   6     0.01   0.00  -0.01     0.05  -0.01  -0.03    -0.01   0.02   0.02
    18   6     0.01   0.01   0.01    -0.08  -0.04   0.01    -0.05  -0.01  -0.00
    19   6    -0.01   0.01   0.02     0.01  -0.05  -0.08     0.04  -0.08  -0.11
    20   6     0.01  -0.00  -0.01     0.07   0.03  -0.01    -0.02  -0.00   0.04
    21  40     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    23  17    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    24   1    -0.01  -0.10   0.08     0.02  -0.00  -0.02    -0.01  -0.03   0.03
    25   1    -0.07   0.01   0.06     0.04  -0.02  -0.02    -0.02   0.01   0.02
    26   1     0.13  -0.02  -0.04     0.04  -0.02  -0.02    -0.05   0.02   0.02
    27   1    -0.14   0.02   0.03    -0.03   0.02  -0.00    -0.02  -0.01   0.01
    28   1    -0.15   0.30  -0.02    -0.11   0.21  -0.01     0.04  -0.08   0.00
    29   1    -0.28   0.42  -0.04    -0.09   0.13  -0.01     0.05  -0.08   0.01
    30   1     0.00  -0.04  -0.00     0.06   0.09  -0.08    -0.02  -0.02   0.03
    31   1     0.11   0.35  -0.19     0.04   0.16  -0.08    -0.02  -0.08   0.04
    32   1     0.04   0.02  -0.06    -0.04   0.02   0.03     0.00  -0.01   0.00
    33   1     0.04   0.01  -0.08     0.01   0.01  -0.03    -0.02   0.00   0.03
    34   1    -0.12   0.12  -0.26     0.03  -0.02   0.08    -0.09   0.08  -0.18
    35   1    -0.14   0.12  -0.20     0.02  -0.04   0.02    -0.03   0.05  -0.04
    36   1    -0.06  -0.08  -0.09     0.14   0.12   0.19    -0.17  -0.15  -0.25
    37   1    -0.13  -0.12  -0.23     0.02   0.04   0.12    -0.08  -0.08  -0.20
    38   1     0.00   0.06   0.03     0.05  -0.04  -0.06    -0.02   0.07   0.06
    39   1    -0.00   0.01   0.01     0.15   0.07  -0.08    -0.06  -0.01   0.05
    40   1    -0.05  -0.02   0.02    -0.14  -0.05   0.11    -0.03   0.02   0.03
    41   1    -0.05  -0.03   0.04    -0.01   0.02  -0.00    -0.01   0.03   0.01
    42   1    -0.08  -0.08  -0.04     0.12   0.12   0.13     0.26   0.26   0.18
    43   1    -0.01  -0.00   0.01     0.28   0.27   0.10    -0.02  -0.03  -0.05
    44   1    -0.00  -0.04  -0.05    -0.09   0.36   0.43    -0.03   0.22   0.28
    45   1     0.02  -0.07  -0.09    -0.05   0.08   0.09    -0.11   0.36   0.44
    46   1    -0.07   0.01   0.03    -0.11   0.02   0.04     0.18  -0.03  -0.08
    47   1    -0.02  -0.01   0.00    -0.19   0.07   0.09    -0.10   0.05   0.05
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1377.4098              1387.1761              1392.0722
 Red. masses --      1.6630                 1.6666                 1.5793
 Frc consts  --      1.8590                 1.8895                 1.8031
 IR Inten    --      1.1936                 0.5906                 0.7540
 RamAct Fr= 1--     27.2614                 2.7663                 1.1460
  Dep-P Fr= 1--      0.2251                 0.2666                 0.1407
  Dep-U Fr= 1--      0.3674                 0.4209                 0.2466
 Alpha2 Fr= 1--      0.3461                 0.0313                 0.0181
 Beta2  Fr= 1--      1.6694                 0.1941                 0.0471
 AlphaG Fr= 1--      0.0236                -0.0280                 0.0653
 Gamma2 Fr= 1--      2.9478                -1.0075                 1.1109
 Delta2 Fr= 1--     -2.0866                -0.3918                 0.0879
 Raman1 Fr= 1--     109.046                 11.065                  4.584
 ROA1   Fr= 1--     216.217               -109.262                109.461
 CID1   Fr= 1--       1.983                 -9.874                 23.880
 Raman2 Fr= 1--      20.033                  2.329                  0.565
 ROA2   Fr= 1--      87.440                -21.046                 25.958
 CID2   Fr= 1--       4.365                 -9.037                 45.922
 Raman3 Fr= 1--      40.065                  4.658                  1.131
 ROA3   Fr= 1--     216.217               -109.262                109.461
 CID3   Fr= 1--       5.397                -23.458                 96.822
 RC180  Fr= 1--      -0.265                 -0.158                 -0.507
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.04    -0.03  -0.04   0.02     0.00   0.00  -0.00
     2   6     0.00  -0.07   0.05    -0.02   0.05  -0.02    -0.00  -0.00   0.00
     3   6    -0.02   0.05  -0.01     0.01  -0.04   0.03    -0.00   0.00   0.00
     4   6     0.05   0.00  -0.02    -0.03   0.05   0.02     0.00  -0.00  -0.00
     5   6    -0.06  -0.06   0.07    -0.02  -0.13   0.08    -0.00   0.00   0.00
     6   6     0.04  -0.05  -0.02    -0.03   0.09  -0.04     0.00  -0.00   0.00
     7   6    -0.05   0.04   0.02     0.05  -0.02  -0.04    -0.00   0.01  -0.00
     8   6     0.05  -0.03  -0.04    -0.04   0.01   0.04     0.00  -0.01   0.00
     9   6    -0.03  -0.01   0.05     0.05  -0.02  -0.04     0.00  -0.00   0.00
    10   6    -0.03   0.03  -0.05     0.00   0.00   0.02    -0.01   0.00  -0.01
    11   6     0.02   0.00   0.02    -0.01  -0.01  -0.01     0.00   0.00   0.02
    12   6     0.01  -0.00  -0.02     0.00   0.00   0.00     0.04   0.01  -0.04
    13   6     0.01  -0.03  -0.03    -0.00   0.00   0.00    -0.02  -0.06  -0.01
    14   6     0.01   0.02   0.01    -0.00  -0.00   0.00     0.01   0.04   0.03
    15   6     0.03   0.02  -0.01    -0.00  -0.01  -0.00     0.04   0.01  -0.03
    16   6    -0.03  -0.02   0.01     0.00   0.01   0.00    -0.03   0.01   0.04
    17   6    -0.03   0.01   0.02     0.00   0.00   0.00     0.01   0.02   0.04
    18   6     0.02   0.02  -0.00    -0.00  -0.01  -0.00    -0.09  -0.11  -0.05
    19   6     0.01  -0.01   0.00    -0.00   0.00   0.00     0.02   0.08   0.04
    20   6    -0.04  -0.01   0.02     0.00   0.00  -0.00    -0.04  -0.02  -0.01
    21  40    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    24   1     0.05   0.05  -0.07    -0.05   0.00   0.04    -0.00   0.01  -0.01
    25   1     0.12  -0.04  -0.08    -0.13   0.08   0.07     0.00   0.00  -0.01
    26   1    -0.05   0.01  -0.01     0.03   0.07  -0.03    -0.00   0.00  -0.00
    27   1    -0.06   0.03  -0.02     0.20  -0.03  -0.08    -0.01   0.00  -0.00
    28   1    -0.22   0.40  -0.03     0.14  -0.09   0.01    -0.01   0.01  -0.00
    29   1    -0.03  -0.01   0.00     0.18  -0.39   0.07    -0.00   0.00  -0.00
    30   1     0.18   0.37  -0.27     0.18   0.48  -0.32     0.00   0.00  -0.00
    31   1     0.05   0.23  -0.12     0.12   0.23  -0.27    -0.00  -0.00   0.01
    32   1    -0.17   0.02   0.15    -0.01  -0.07   0.02    -0.01   0.00   0.01
    33   1     0.00   0.02  -0.04     0.23   0.00  -0.18    -0.01   0.00   0.01
    34   1     0.00  -0.02   0.09     0.03  -0.02  -0.02    -0.01   0.00   0.02
    35   1     0.20  -0.15   0.28    -0.10   0.08  -0.12     0.05  -0.00   0.06
    36   1    -0.13  -0.08  -0.18     0.03   0.02   0.05    -0.10  -0.10  -0.13
    37   1     0.04   0.02   0.02     0.01   0.02   0.02     0.02   0.01  -0.01
    38   1    -0.02   0.03   0.04    -0.00  -0.01  -0.01    -0.05  -0.03   0.01
    39   1    -0.06  -0.02   0.04     0.00  -0.00  -0.01    -0.10  -0.06   0.04
    40   1     0.09   0.04  -0.04    -0.01  -0.01  -0.00    -0.14  -0.08   0.02
    41   1     0.02   0.02  -0.02     0.01  -0.00  -0.01     0.18   0.05  -0.08
    42   1     0.03   0.03  -0.00     0.01   0.01   0.00     0.23   0.23   0.06
    43   1    -0.14  -0.14  -0.07     0.02   0.02   0.01     0.45   0.49   0.23
    44   1     0.03  -0.08  -0.10    -0.00   0.01   0.01     0.08  -0.03  -0.01
    45   1    -0.01   0.08   0.10     0.00  -0.02  -0.02    -0.00  -0.28  -0.31
    46   1     0.11  -0.02  -0.05    -0.01   0.00   0.01     0.04   0.05   0.05
    47   1     0.06  -0.01  -0.03    -0.01   0.00   0.00     0.13   0.00  -0.09
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1409.7560              1411.9643              1467.8954
 Red. masses --      2.5840                 2.6577                 1.8940
 Frc consts  --      3.0257                 3.1218                 2.4045
 IR Inten    --      4.4355                 3.6542                 1.1600
 RamAct Fr= 1--      5.7415                 6.3853                 9.0916
  Dep-P Fr= 1--      0.2034                 0.1299                 0.2668
  Dep-U Fr= 1--      0.3381                 0.2299                 0.4212
 Alpha2 Fr= 1--      0.0773                 0.1038                 0.1028
 Beta2  Fr= 1--      0.3235                 0.2447                 0.6382
 AlphaG Fr= 1--     -0.1673                -0.2390                -0.1454
 Gamma2 Fr= 1--      0.5211                 1.6668                -2.7671
 Delta2 Fr= 1--      1.1074                 0.6016                -2.5288
 Raman1 Fr= 1--      22.966                 25.541                 36.366
 ROA1   Fr= 1--      85.461                179.258               -346.567
 CID1   Fr= 1--       3.721                  7.018                 -9.530
 Raman2 Fr= 1--       3.882                  2.936                  7.659
 ROA2   Fr= 1--       3.647                 35.190                -46.181
 CID2   Fr= 1--       0.939                 11.984                 -6.030
 Raman3 Fr= 1--       7.764                  5.873                 15.317
 ROA3   Fr= 1--      85.461                179.258               -346.567
 CID3   Fr= 1--      11.007                 30.523                -22.626
 RC180  Fr= 1--      -0.324                 -0.540                 -0.158
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.00     0.09  -0.01  -0.03     0.02   0.03  -0.04
     2   6     0.01  -0.01  -0.01    -0.12   0.13   0.02    -0.07  -0.05   0.09
     3   6     0.00   0.01  -0.01    -0.03  -0.12   0.14     0.04   0.03  -0.05
     4   6    -0.01  -0.00   0.01     0.08   0.01  -0.09    -0.00  -0.04   0.05
     5   6     0.00  -0.00  -0.00    -0.02   0.02   0.01    -0.00  -0.00   0.00
     6   6    -0.00   0.01  -0.00     0.01  -0.05   0.00    -0.02  -0.02   0.00
     7   6     0.00  -0.02   0.01     0.03   0.07  -0.10    -0.02   0.01   0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.08   0.09    -0.01  -0.06   0.05
     9   6    -0.02   0.00   0.01     0.11  -0.05  -0.09     0.05   0.07  -0.09
    10   6     0.02  -0.02   0.01    -0.01   0.02   0.01     0.00  -0.01   0.04
    11   6     0.02   0.02  -0.00    -0.01  -0.02  -0.01    -0.00  -0.01  -0.03
    12   6    -0.10  -0.04   0.07    -0.01  -0.01   0.01    -0.03   0.06   0.06
    13   6     0.12   0.12  -0.01     0.01   0.02   0.00     0.04  -0.04  -0.06
    14   6     0.03  -0.12  -0.13     0.00  -0.02  -0.02    -0.03   0.02   0.04
    15   6    -0.02   0.08   0.10    -0.01   0.00   0.01     0.02   0.01  -0.01
    16   6    -0.01  -0.09  -0.08     0.00   0.00  -0.01     0.00  -0.05  -0.04
    17   6    -0.08  -0.02   0.06    -0.01  -0.00   0.01    -0.02   0.03   0.03
    18   6    -0.02  -0.03  -0.03    -0.00  -0.00  -0.00     0.00  -0.00  -0.02
    19   6     0.02   0.02   0.01     0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6    -0.09   0.02   0.06    -0.01   0.00   0.01     0.01  -0.02  -0.02
    21  40    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    24   1     0.01  -0.05   0.03    -0.08   0.19  -0.09    -0.05   0.08  -0.02
    25   1     0.00  -0.02   0.01    -0.02   0.12  -0.07    -0.03   0.02   0.02
    26   1     0.01  -0.02   0.00    -0.17   0.12   0.04    -0.01  -0.11   0.01
    27   1     0.04  -0.00   0.01    -0.43   0.01   0.08     0.02   0.01   0.11
    28   1     0.02  -0.02   0.00    -0.15   0.17  -0.03     0.09   0.13   0.12
    29   1     0.01  -0.01   0.00    -0.07   0.05  -0.00     0.16   0.07  -0.13
    30   1    -0.00  -0.01   0.00     0.01   0.05  -0.01     0.05  -0.00  -0.03
    31   1     0.00   0.00  -0.01    -0.04  -0.04   0.10    -0.01  -0.02  -0.04
    32   1     0.03   0.00  -0.03    -0.32  -0.05   0.25     0.06   0.49  -0.07
    33   1     0.03  -0.01  -0.03    -0.29   0.06   0.35    -0.22   0.06  -0.43
    34   1    -0.07   0.07  -0.05     0.06  -0.05   0.04     0.13  -0.11  -0.09
    35   1    -0.02   0.06  -0.06    -0.10   0.13  -0.13    -0.14  -0.01  -0.15
    36   1     0.08   0.10   0.09     0.05   0.07   0.09     0.13  -0.06   0.13
    37   1    -0.08  -0.06  -0.06     0.04   0.05   0.06    -0.14  -0.10   0.10
    38   1     0.08   0.20   0.11     0.01  -0.00  -0.00     0.04   0.08   0.03
    39   1    -0.01   0.11   0.09     0.00   0.01   0.00     0.02   0.01  -0.01
    40   1     0.24   0.09  -0.08     0.04   0.01  -0.02    -0.07  -0.07  -0.11
    41   1     0.31   0.15  -0.26     0.04   0.01  -0.03     0.07  -0.13   0.03
    42   1     0.17   0.18   0.03     0.01   0.02  -0.00     0.06  -0.03   0.09
    43   1     0.07   0.08   0.02     0.00  -0.00  -0.00    -0.08   0.03   0.08
    44   1     0.08  -0.10  -0.06     0.01  -0.01  -0.01    -0.01   0.01  -0.01
    45   1     0.03  -0.01  -0.02     0.01   0.00   0.00    -0.02   0.00   0.02
    46   1     0.25  -0.06  -0.20     0.03  -0.01  -0.03     0.04   0.11   0.15
    47   1     0.46  -0.06  -0.16     0.06  -0.01  -0.02    -0.08   0.16  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1470.0922              1475.7145              1478.6908
 Red. masses --      2.0393                 2.2847                 2.0221
 Frc consts  --      2.5967                 2.9315                 2.6050
 IR Inten    --      2.9983                 4.9269                 2.8716
 RamAct Fr= 1--      4.3488                23.3496                19.5888
  Dep-P Fr= 1--      0.7499                 0.3715                 0.3645
  Dep-U Fr= 1--      0.8571                 0.5418                 0.5343
 Alpha2 Fr= 1--      0.0000                 0.1909                 0.1640
 Beta2  Fr= 1--      0.6212                 2.1084                 1.7443
 AlphaG Fr= 1--     -0.0010                 0.2238                -0.0487
 Gamma2 Fr= 1--      0.5990               -11.8160                -0.3870
 Delta2 Fr= 1--      3.5280                -4.0550                -1.7026
 Raman1 Fr= 1--      17.395                 93.398                 78.355
 ROA1   Fr= 1--     170.398              -1264.092                -91.630
 CID1   Fr= 1--       9.796                -13.534                 -1.169
 Raman2 Fr= 1--       7.454                 25.301                 20.932
 ROA2   Fr= 1--     -13.848               -251.143                  4.334
 CID2   Fr= 1--      -1.858                 -9.926                  0.207
 Raman3 Fr= 1--      14.909                 50.602                 41.863
 ROA3   Fr= 1--     170.398              -1264.092                -91.630
 CID3   Fr= 1--      11.430                -24.981                 -2.189
 RC180  Fr= 1--       0.714                  0.084                  0.069
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.02     0.01   0.00   0.00     0.00  -0.00   0.00
     2   6    -0.04  -0.03   0.05    -0.02  -0.04   0.03     0.01   0.00  -0.01
     3   6     0.03   0.02  -0.03     0.13  -0.04  -0.08    -0.01   0.00   0.01
     4   6     0.00  -0.04   0.04    -0.08   0.07  -0.01     0.01  -0.01   0.00
     5   6    -0.00  -0.00   0.00     0.01  -0.02  -0.02    -0.00   0.00   0.00
     6   6    -0.02  -0.01   0.00     0.01  -0.01   0.00     0.00   0.00   0.00
     7   6    -0.01   0.00   0.00    -0.10   0.05   0.05     0.01  -0.00  -0.01
     8   6    -0.01  -0.03   0.03     0.03  -0.12   0.06    -0.00   0.01  -0.00
     9   6     0.03   0.04  -0.06    -0.02   0.16  -0.08     0.00  -0.01   0.01
    10   6    -0.00  -0.02   0.02     0.02  -0.04   0.04    -0.01   0.02  -0.00
    11   6     0.00   0.03   0.04     0.00   0.02   0.00    -0.03  -0.05  -0.01
    12   6     0.05  -0.11  -0.11     0.01   0.00  -0.01     0.06   0.14   0.04
    13   6    -0.07   0.07   0.09    -0.01   0.00   0.01    -0.02  -0.02   0.02
    14   6     0.06  -0.03  -0.07    -0.00  -0.01  -0.00    -0.12  -0.06   0.05
    15   6    -0.04  -0.01   0.01     0.00   0.00  -0.00     0.10   0.05  -0.04
    16   6    -0.00   0.08   0.06    -0.00  -0.00   0.00    -0.03  -0.11  -0.04
    17   6     0.03  -0.04  -0.04     0.00  -0.01  -0.00     0.01  -0.03  -0.02
    18   6    -0.01   0.00   0.02    -0.00  -0.00   0.00    -0.02  -0.01   0.01
    19   6    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.04   0.00  -0.02
    20   6    -0.02   0.04   0.03     0.00   0.01   0.00     0.06   0.07   0.00
    21  40     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22  17    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    24   1    -0.02   0.03  -0.00    -0.04   0.20  -0.09     0.00  -0.01   0.01
    25   1    -0.02   0.01   0.01     0.15  -0.07  -0.07    -0.02   0.01   0.00
    26   1     0.01   0.01  -0.01     0.01   0.09  -0.02    -0.01   0.03   0.00
    27   1     0.00   0.01  -0.01    -0.03   0.02  -0.10    -0.01   0.00  -0.02
    28   1     0.08   0.08   0.09    -0.02   0.03  -0.01    -0.01  -0.01  -0.01
    29   1     0.11   0.05  -0.09    -0.02   0.03  -0.00    -0.01  -0.01   0.01
    30   1     0.04  -0.01  -0.02    -0.21   0.14   0.05     0.02  -0.01  -0.00
    31   1    -0.01  -0.02  -0.04     0.08   0.17   0.15    -0.01  -0.02  -0.01
    32   1     0.04   0.41  -0.05     0.01  -0.51   0.00    -0.00   0.06  -0.00
    33   1    -0.20   0.06  -0.35     0.39  -0.09   0.34    -0.05   0.01  -0.04
    34   1     0.01  -0.02  -0.04     0.10  -0.09  -0.12     0.10  -0.07  -0.02
    35   1    -0.06   0.07  -0.07    -0.11  -0.07  -0.12    -0.04  -0.11  -0.01
    36   1    -0.15  -0.02  -0.16     0.02  -0.11   0.00    -0.00   0.01   0.03
    37   1     0.12   0.10  -0.11    -0.08  -0.06   0.00     0.02  -0.00   0.02
    38   1    -0.06  -0.12  -0.04    -0.00   0.01   0.01     0.02   0.18   0.10
    39   1    -0.01  -0.01   0.01    -0.01  -0.00   0.01    -0.17  -0.07   0.08
    40   1     0.10   0.08   0.13     0.03   0.03   0.04     0.05   0.13   0.23
    41   1    -0.07   0.17  -0.05    -0.01   0.06  -0.02    -0.09   0.24  -0.05
    42   1    -0.08   0.06  -0.15    -0.01   0.03  -0.04    -0.02   0.08  -0.09
    43   1     0.14  -0.06  -0.14     0.04  -0.01  -0.03     0.13   0.00  -0.08
    44   1     0.02  -0.03  -0.00     0.02  -0.02   0.02     0.18  -0.12   0.24
    45   1     0.02  -0.01  -0.02     0.03   0.01  -0.01     0.29   0.14  -0.05
    46   1    -0.07  -0.20  -0.28    -0.03  -0.05  -0.07    -0.17  -0.24  -0.34
    47   1     0.15  -0.30   0.08     0.02  -0.08   0.03    -0.00  -0.40   0.20
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1482.5548              1484.5993              1490.4765
 Red. masses --      1.1201                 1.1029                 1.2614
 Frc consts  --      1.4506                 1.4322                 1.6511
 IR Inten    --      7.9749                10.1178                 2.4902
 RamAct Fr= 1--      7.3179                 7.1958                 5.9228
  Dep-P Fr= 1--      0.7101                 0.6780                 0.6893
  Dep-U Fr= 1--      0.8305                 0.8081                 0.8161
 Alpha2 Fr= 1--      0.0051                 0.0092                 0.0063
 Beta2  Fr= 1--      1.0129                 0.9691                 0.8056
 AlphaG Fr= 1--     -0.0811                -0.0945                -0.0283
 Gamma2 Fr= 1--      2.6615                -3.9135                 0.4873
 Delta2 Fr= 1--      2.0912                -0.1444                -0.6758
 Raman1 Fr= 1--      29.271                 28.783                 23.691
 ROA1   Fr= 1--     322.423               -380.312                 25.150
 CID1   Fr= 1--      11.015                -13.213                  1.062
 Raman2 Fr= 1--      12.155                 11.630                  9.667
 ROA2   Fr= 1--      47.146                -92.768                 17.101
 CID2   Fr= 1--       3.879                 -7.977                  1.769
 Raman3 Fr= 1--      24.309                 23.259                 19.334
 ROA3   Fr= 1--     322.423               -380.312                 25.150
 CID3   Fr= 1--      13.263                -16.351                  1.301
 RC180  Fr= 1--       0.661                  0.616                  0.632
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.05   0.05    -0.01   0.01  -0.01     0.00   0.02  -0.03
     2   6     0.01   0.01  -0.01     0.00   0.00  -0.00    -0.03  -0.02   0.04
     3   6     0.02  -0.02  -0.01    -0.00  -0.00   0.00    -0.02   0.05  -0.02
     4   6    -0.00  -0.01   0.02     0.00   0.00  -0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
     6   6     0.01   0.00   0.00    -0.00  -0.00  -0.00    -0.02  -0.01  -0.00
     7   6    -0.02   0.01   0.02     0.00   0.00  -0.00     0.02  -0.02  -0.00
     8   6     0.01   0.00  -0.01    -0.00  -0.01   0.01    -0.01   0.03  -0.01
     9   6    -0.01  -0.00   0.01    -0.00   0.01  -0.01     0.04  -0.03  -0.01
    10   6    -0.00   0.02   0.01     0.00  -0.01  -0.00    -0.02   0.05   0.03
    11   6    -0.00  -0.03   0.01     0.00   0.01   0.00    -0.01  -0.05   0.03
    12   6    -0.00   0.01   0.01     0.00  -0.01  -0.01     0.02   0.02   0.00
    13   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.02   0.01   0.02
    14   6    -0.01  -0.01  -0.00    -0.02  -0.01   0.00     0.00  -0.02  -0.02
    15   6     0.00   0.00   0.00     0.02   0.00  -0.01     0.00   0.01   0.01
    16   6    -0.00  -0.01  -0.01    -0.01   0.01   0.01    -0.00  -0.01  -0.01
    17   6    -0.00  -0.01  -0.00    -0.00  -0.06  -0.02     0.01   0.00  -0.00
    18   6     0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01  -0.00   0.00
    20   6    -0.00  -0.02  -0.01    -0.00  -0.04  -0.02    -0.00  -0.01   0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    24   1     0.01  -0.02   0.00    -0.00   0.01  -0.00     0.00  -0.05   0.03
    25   1     0.05  -0.03  -0.03    -0.01   0.01   0.00    -0.06   0.02   0.04
    26   1    -0.00   0.54  -0.10     0.00  -0.14   0.03     0.03  -0.19   0.02
    27   1    -0.19   0.02  -0.52     0.05  -0.01   0.13     0.06  -0.00   0.18
    28   1    -0.05  -0.06  -0.06     0.02   0.02   0.02     0.08   0.09   0.10
    29   1    -0.08  -0.02   0.06     0.03   0.01  -0.02     0.10   0.07  -0.10
    30   1    -0.11   0.05   0.04     0.04  -0.02  -0.01     0.03  -0.02  -0.01
    31   1     0.04   0.06   0.09    -0.01  -0.02  -0.04    -0.02  -0.03  -0.01
    32   1     0.01   0.20  -0.03    -0.01  -0.01   0.00     0.01  -0.22   0.02
    33   1    -0.12   0.04  -0.15     0.00   0.00   0.01     0.16  -0.05   0.15
    34   1     0.10  -0.06  -0.12    -0.03   0.02   0.03     0.26  -0.18  -0.25
    35   1    -0.08  -0.17  -0.03     0.01   0.06  -0.00    -0.21  -0.31  -0.12
    36   1    -0.10   0.21  -0.05     0.01  -0.03   0.00    -0.21   0.36  -0.12
    37   1     0.15   0.08  -0.16    -0.02  -0.01   0.02     0.29   0.18  -0.27
    38   1    -0.00   0.02  -0.00    -0.01  -0.03  -0.01     0.01   0.03   0.02
    39   1    -0.01  -0.00   0.00    -0.04  -0.02   0.02    -0.01   0.00   0.01
    40   1     0.02   0.04   0.05     0.21   0.28   0.40    -0.02  -0.04  -0.04
    41   1    -0.01   0.07  -0.02    -0.19   0.49  -0.10     0.04  -0.05  -0.01
    42   1     0.01  -0.02   0.03    -0.02  -0.00  -0.03    -0.00   0.00  -0.00
    43   1    -0.02   0.01   0.03     0.02  -0.01  -0.02     0.00  -0.00  -0.01
    44   1    -0.01   0.01  -0.01     0.06  -0.06   0.06    -0.05   0.05  -0.05
    45   1    -0.01  -0.00   0.00     0.10   0.04  -0.02    -0.07  -0.03   0.02
    46   1     0.06   0.11   0.14     0.14   0.24   0.31     0.04   0.06   0.07
    47   1    -0.01   0.17  -0.07    -0.04   0.37  -0.15     0.02   0.10  -0.05
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1495.7286              1496.6611              1498.6090
 Red. masses --      1.1339                 1.1499                 1.9165
 Frc consts  --      1.4946                 1.5176                 2.5359
 IR Inten    --      7.1123                 3.3916                 2.8680
 RamAct Fr= 1--      7.4548                16.8291                24.6585
  Dep-P Fr= 1--      0.7405                 0.5395                 0.1241
  Dep-U Fr= 1--      0.8509                 0.7009                 0.2209
 Alpha2 Fr= 1--      0.0012                 0.0682                 0.4068
 Beta2  Fr= 1--      1.0572                 1.9658                 0.9077
 AlphaG Fr= 1--      0.0023                -0.0482                -0.2320
 Gamma2 Fr= 1--     13.2163               -18.3708                 7.9375
 Delta2 Fr= 1--      6.6357                -5.8090                 3.4978
 Raman1 Fr= 1--      29.819                 67.316                 98.634
 ROA1   Fr= 1--    1481.108              -1949.486                873.928
 CID1   Fr= 1--      49.670                -28.960                  8.860
 Raman2 Fr= 1--      12.687                 23.590                 10.892
 ROA2   Fr= 1--     264.105               -394.427                162.518
 CID2   Fr= 1--      20.817                -16.720                 14.920
 Raman3 Fr= 1--      25.373                 47.180                 21.785
 ROA3   Fr= 1--    1481.108              -1949.486                873.928
 CID3   Fr= 1--      58.372                -41.320                 40.117
 RC180  Fr= 1--       0.702                  0.402                 -0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01     0.00   0.01  -0.01     0.02  -0.00  -0.01
     2   6    -0.01   0.00   0.01     0.00  -0.01   0.00    -0.03  -0.03   0.06
     3   6    -0.00   0.01  -0.01     0.00  -0.00  -0.00    -0.04   0.07  -0.02
     4   6     0.00   0.00  -0.00    -0.01   0.00   0.00     0.01  -0.01  -0.00
     5   6     0.01  -0.02  -0.02    -0.01   0.02   0.02     0.00   0.00  -0.01
     6   6    -0.04  -0.03  -0.00     0.04   0.03   0.00     0.00  -0.01   0.00
     7   6     0.00  -0.01   0.01    -0.00   0.01  -0.00     0.04  -0.03  -0.01
     8   6    -0.01   0.02  -0.01     0.00  -0.02   0.01    -0.02   0.05  -0.02
     9   6     0.02  -0.03   0.00    -0.01   0.03  -0.01     0.05  -0.07   0.00
    10   6    -0.00  -0.01  -0.01     0.00   0.00   0.02    -0.02   0.05   0.02
    11   6     0.00  -0.00   0.00     0.01   0.01   0.01     0.03   0.05  -0.02
    12   6    -0.02  -0.03  -0.00    -0.02  -0.04  -0.01    -0.08  -0.06   0.02
    13   6     0.01   0.01  -0.01     0.01   0.01  -0.01     0.06  -0.06  -0.09
    14   6    -0.00   0.01   0.01     0.02   0.02   0.00     0.04   0.10   0.04
    15   6    -0.00  -0.01  -0.01    -0.01  -0.01   0.00    -0.05  -0.04   0.01
    16   6     0.00   0.02   0.01     0.01   0.03   0.01     0.03   0.05   0.01
    17   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.03  -0.01   0.03
    18   6     0.01   0.01  -0.03     0.01   0.01  -0.03    -0.01  -0.01   0.02
    19   6    -0.04   0.01  -0.02    -0.04   0.01  -0.01    -0.01   0.01   0.01
    20   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.01  -0.00  -0.01
    21  40     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    24   1     0.01  -0.06   0.03    -0.02   0.05  -0.02     0.01  -0.10   0.06
    25   1    -0.00  -0.01   0.01    -0.00   0.01  -0.00    -0.08   0.02   0.06
    26   1     0.02   0.07  -0.02    -0.01  -0.09   0.02     0.00   0.15  -0.04
    27   1    -0.03  -0.00  -0.06     0.04   0.00   0.09    -0.07   0.02  -0.14
    28   1     0.25   0.16   0.24    -0.27  -0.17  -0.26    -0.04  -0.00  -0.02
    29   1     0.25   0.15  -0.24    -0.27  -0.16   0.26    -0.03   0.00   0.02
    30   1    -0.18   0.13   0.03     0.21  -0.15  -0.04    -0.09   0.04   0.03
    31   1     0.05   0.09   0.19    -0.05  -0.10  -0.22     0.01   0.02   0.12
    32   1    -0.01  -0.07   0.02     0.02   0.03  -0.02     0.02  -0.13   0.00
    33   1     0.05  -0.02   0.05    -0.01   0.01  -0.02     0.11  -0.04   0.08
    34   1    -0.10   0.07   0.10     0.09  -0.06  -0.12     0.20  -0.12  -0.24
    35   1     0.06   0.15   0.03    -0.08  -0.13  -0.05    -0.18  -0.25  -0.09
    36   1    -0.02   0.08  -0.01    -0.04   0.08  -0.03     0.17  -0.16   0.11
    37   1     0.05   0.03  -0.05     0.05   0.03  -0.07    -0.19  -0.11   0.20
    38   1    -0.02  -0.06  -0.03    -0.01  -0.06  -0.03    -0.00  -0.10  -0.07
    39   1    -0.00  -0.01  -0.00     0.02   0.00  -0.01     0.12   0.03  -0.08
    40   1    -0.03  -0.03  -0.03    -0.02  -0.02  -0.03     0.10   0.14   0.18
    41   1     0.01  -0.04   0.01     0.03  -0.03  -0.01    -0.06   0.25  -0.05
    42   1     0.06  -0.19   0.25     0.05  -0.17   0.22    -0.03   0.17  -0.19
    43   1    -0.20   0.12   0.23    -0.17   0.11   0.21     0.17  -0.06  -0.16
    44   1     0.24  -0.22   0.21     0.22  -0.21   0.18     0.08  -0.09   0.03
    45   1     0.34   0.18  -0.05     0.31   0.16  -0.05     0.10   0.03  -0.04
    46   1     0.01  -0.02  -0.03     0.01  -0.02  -0.04    -0.10  -0.12  -0.12
    47   1    -0.01  -0.03   0.01    -0.00  -0.04   0.01    -0.05  -0.20   0.09
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1502.2631              1504.5255              1505.3799
 Red. masses --      2.0330                 1.1000                 1.1509
 Frc consts  --      2.7032                 1.4671                 1.5366
 IR Inten    --      9.3296                10.9282                 2.8736
 RamAct Fr= 1--      7.1187                 2.2338                 3.3442
  Dep-P Fr= 1--      0.4442                 0.2159                 0.5382
  Dep-U Fr= 1--      0.6152                 0.3551                 0.6998
 Alpha2 Fr= 1--      0.0447                 0.0291                 0.0136
 Beta2  Fr= 1--      0.7299                 0.1322                 0.3901
 AlphaG Fr= 1--      0.0436                -0.0194                -0.0936
 Gamma2 Fr= 1--     -0.0615                 0.7579                -2.3544
 Delta2 Fr= 1--      2.7117                -0.5525                -0.8215
 Raman1 Fr= 1--      28.475                  8.935                 13.377
 ROA1   Fr= 1--      80.876                 55.080               -252.314
 CID1   Fr= 1--       2.840                  6.164                -18.862
 Raman2 Fr= 1--       8.759                  1.587                  4.681
 ROA2   Fr= 1--     -23.169                 22.611                -49.934
 CID2   Fr= 1--      -2.645                 14.251                -10.668
 Raman3 Fr= 1--      17.517                  3.173                  9.361
 ROA3   Fr= 1--      80.876                 55.080               -252.314
 CID3   Fr= 1--       4.617                 17.358                -26.953
 RC180  Fr= 1--       0.230                 -0.290                  0.400
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.03     0.00   0.00  -0.00     0.01  -0.02   0.02
     2   6    -0.08  -0.06   0.11    -0.00  -0.00   0.01     0.01  -0.01   0.00
     3   6    -0.03   0.10  -0.05    -0.01   0.01  -0.00    -0.01   0.01  -0.00
     4   6     0.00  -0.02   0.01     0.00  -0.00   0.00    -0.00   0.01  -0.01
     5   6     0.01  -0.01  -0.03     0.00  -0.00  -0.01    -0.02   0.04   0.03
     6   6     0.04   0.01   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.01
     7   6     0.04  -0.04  -0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.00
     8   6    -0.03   0.05  -0.01    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6     0.09  -0.06  -0.04     0.01  -0.01  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.01  -0.00    -0.00   0.01   0.00    -0.00   0.02   0.00
    11   6    -0.01   0.02  -0.01     0.00   0.00  -0.00     0.00   0.03  -0.01
    12   6     0.07   0.02  -0.05    -0.00   0.00   0.00     0.03   0.00  -0.03
    13   6    -0.06   0.05   0.08     0.00  -0.01  -0.00    -0.03   0.02   0.04
    14   6    -0.02  -0.08  -0.04    -0.01   0.01   0.01     0.00  -0.03  -0.02
    15   6     0.03   0.03  -0.00     0.01  -0.00  -0.01     0.01   0.01   0.00
    16   6    -0.02  -0.02   0.01     0.00   0.00   0.00    -0.01  -0.01   0.00
    17   6     0.02  -0.00  -0.02    -0.00  -0.03  -0.01     0.01  -0.00  -0.01
    18   6     0.01   0.01  -0.00     0.02   0.00  -0.06     0.00   0.00  -0.01
    19   6    -0.01  -0.01  -0.01     0.05   0.00   0.01     0.00  -0.00  -0.00
    20   6    -0.00  -0.00   0.00     0.01   0.02   0.01    -0.00   0.00   0.00
    21  40     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    22  17     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    24   1     0.00  -0.12   0.08     0.00  -0.01   0.01    -0.00   0.00  -0.00
    25   1    -0.11   0.03   0.08    -0.01   0.01   0.01    -0.02   0.01   0.01
    26   1    -0.00   0.11  -0.03     0.00  -0.01   0.00    -0.02   0.26  -0.04
    27   1    -0.04   0.02  -0.10     0.00   0.00   0.01    -0.10   0.01  -0.25
    28   1    -0.25  -0.13  -0.23    -0.02  -0.01  -0.02     0.14   0.11   0.16
    29   1    -0.25  -0.12   0.21    -0.02  -0.01   0.02     0.17   0.11  -0.15
    30   1    -0.23   0.12   0.07    -0.05   0.03   0.01     0.40  -0.27  -0.10
    31   1     0.06   0.09   0.24     0.01   0.02   0.06    -0.13  -0.23  -0.39
    32   1     0.05  -0.10  -0.02     0.00  -0.00  -0.00     0.00  -0.14   0.01
    33   1     0.14  -0.06   0.03     0.01  -0.00  -0.00     0.09  -0.02   0.11
    34   1    -0.05   0.02   0.12     0.03  -0.02  -0.02     0.07  -0.04  -0.08
    35   1     0.02   0.20  -0.01    -0.02  -0.02  -0.02    -0.05  -0.11  -0.01
    36   1     0.07  -0.32   0.02     0.02  -0.02   0.01     0.09  -0.28   0.04
    37   1    -0.13  -0.06   0.22    -0.02  -0.01   0.03    -0.16  -0.09   0.18
    38   1    -0.01   0.06   0.05    -0.00  -0.00  -0.00    -0.00   0.03   0.02
    39   1    -0.10  -0.03   0.06    -0.00  -0.01  -0.00    -0.03  -0.00   0.02
    40   1    -0.04  -0.08  -0.11     0.10   0.14   0.20    -0.00  -0.02  -0.03
    41   1     0.04  -0.14   0.02    -0.09   0.24  -0.06     0.02  -0.03  -0.01
    42   1    -0.01  -0.07   0.06     0.12  -0.27   0.36     0.01  -0.07   0.07
    43   1    -0.06   0.00   0.04    -0.31   0.17   0.35    -0.07   0.03   0.07
    44   1     0.01  -0.00   0.04    -0.21   0.20  -0.22    -0.00   0.00  -0.00
    45   1     0.03   0.03   0.01    -0.34  -0.17   0.05    -0.00   0.00   0.00
    46   1     0.10   0.12   0.13    -0.08  -0.12  -0.16     0.03   0.03   0.03
    47   1     0.05   0.20  -0.09     0.02  -0.19   0.08     0.03   0.05  -0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1506.3614              1526.3036              1526.8891
 Red. masses --      1.3997                 4.3122                 4.1883
 Frc consts  --      1.8713                 5.9187                 5.7532
 IR Inten    --      1.1865                 8.0046                 2.8369
 RamAct Fr= 1--     15.2571                 2.5442                15.8326
  Dep-P Fr= 1--      0.6879                 0.7398                 0.7288
  Dep-U Fr= 1--      0.8151                 0.8505                 0.8432
 Alpha2 Fr= 1--      0.0166                 0.0004                 0.0057
 Beta2  Fr= 1--      2.0727                 0.3606                 2.2249
 AlphaG Fr= 1--      0.1205                -0.0003                 0.0614
 Gamma2 Fr= 1--      8.5078                 5.1382                -6.7707
 Delta2 Fr= 1--      5.0099                 1.9429                -4.0830
 Raman1 Fr= 1--      61.028                 10.177                 63.330
 ROA1   Fr= 1--     977.069                555.444               -780.645
 CID1   Fr= 1--      16.010                 54.578                -12.327
 Raman2 Fr= 1--      24.873                  4.328                 26.699
 ROA2   Fr= 1--     164.108                107.775               -129.834
 CID2   Fr= 1--       6.598                 24.904                 -4.863
 Raman3 Fr= 1--      49.745                  8.655                 53.397
 ROA3   Fr= 1--     977.069                555.444               -780.645
 CID3   Fr= 1--      19.641                 64.175                -14.620
 RC180  Fr= 1--       0.630                  0.701                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00  -0.01     0.04  -0.01  -0.02    -0.03   0.01   0.02
     2   6    -0.05  -0.03   0.07    -0.11   0.12   0.02     0.10  -0.12  -0.00
     3   6     0.02   0.04  -0.05     0.18  -0.09  -0.08    -0.18   0.10   0.07
     4   6    -0.02   0.01   0.01    -0.06   0.03   0.03     0.06  -0.03  -0.03
     5   6    -0.01   0.03   0.02    -0.00   0.00   0.01     0.00   0.00  -0.01
     6   6     0.01  -0.00   0.01    -0.00   0.01  -0.00     0.00  -0.01   0.00
     7   6    -0.00  -0.02   0.01    -0.12   0.02   0.10     0.12  -0.02  -0.10
     8   6    -0.01   0.01   0.00     0.01   0.08  -0.08    -0.02  -0.08   0.08
     9   6     0.05  -0.00  -0.05     0.06  -0.14   0.04    -0.05   0.14  -0.05
    10   6     0.00  -0.05  -0.01    -0.02   0.04  -0.02     0.02  -0.06   0.01
    11   6    -0.00  -0.04   0.01    -0.02  -0.04  -0.02    -0.02  -0.05  -0.01
    12   6    -0.03   0.00   0.03     0.07   0.14   0.03     0.06   0.13   0.04
    13   6     0.04  -0.02  -0.05    -0.13  -0.11   0.02    -0.11  -0.10   0.01
    14   6    -0.02   0.02   0.03     0.19   0.08  -0.09     0.18   0.08  -0.08
    15   6     0.01  -0.01  -0.01    -0.13  -0.01   0.10    -0.13  -0.02   0.10
    16   6     0.01   0.00  -0.00     0.01  -0.08  -0.07     0.02  -0.08  -0.07
    17   6    -0.01  -0.00   0.01     0.04   0.01  -0.02     0.04   0.01  -0.02
    18   6    -0.00  -0.00   0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    19   6     0.01   0.00   0.00    -0.01   0.01   0.00    -0.01   0.01   0.00
    20   6     0.01   0.01  -0.01    -0.07  -0.02   0.02    -0.06  -0.02   0.02
    21  40    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.05   0.04     0.11  -0.26   0.10    -0.11   0.25  -0.09
    25   1    -0.02  -0.01   0.03     0.27  -0.19  -0.11    -0.28   0.20   0.12
    26   1     0.00   0.16  -0.04    -0.05  -0.11   0.04     0.04   0.14  -0.05
    27   1    -0.05   0.01  -0.16    -0.10  -0.03   0.22     0.09   0.03  -0.25
    28   1    -0.06  -0.01  -0.04    -0.01  -0.02  -0.02    -0.00   0.02   0.01
    29   1    -0.04  -0.00   0.03    -0.02  -0.02   0.02     0.01   0.02  -0.01
    30   1     0.24  -0.18  -0.05     0.09  -0.04  -0.03    -0.08   0.03   0.03
    31   1    -0.08  -0.13  -0.24    -0.01  -0.02  -0.13     0.01   0.01   0.12
    32   1     0.04  -0.14  -0.02     0.01   0.06  -0.03    -0.01  -0.06   0.03
    33   1     0.14  -0.04   0.07    -0.00   0.02  -0.07     0.01  -0.02   0.07
    34   1    -0.25   0.15   0.30    -0.02   0.02   0.07    -0.08   0.02   0.13
    35   1     0.15   0.46   0.03     0.03   0.05   0.03     0.06   0.14   0.01
    36   1    -0.09   0.33  -0.02     0.03  -0.07   0.03    -0.04   0.07  -0.01
    37   1     0.18   0.09  -0.20    -0.02  -0.02   0.08     0.04  -0.00  -0.09
    38   1    -0.00  -0.03  -0.03     0.11   0.26   0.10     0.10   0.24   0.09
    39   1     0.00  -0.01  -0.01     0.29   0.19  -0.09     0.28   0.19  -0.09
    40   1     0.02   0.04   0.06    -0.02   0.07   0.16    -0.03   0.05   0.14
    41   1    -0.04   0.07   0.01    -0.18   0.14   0.07    -0.16   0.11   0.08
    42   1    -0.01   0.06  -0.06     0.02  -0.02   0.04     0.02  -0.01   0.03
    43   1     0.06  -0.02  -0.05    -0.03   0.03   0.05    -0.02   0.02   0.03
    44   1    -0.04   0.05  -0.04     0.09  -0.10   0.03     0.08  -0.09   0.04
    45   1    -0.07  -0.04   0.01     0.10   0.03  -0.03     0.10   0.04  -0.03
    46   1    -0.05  -0.04  -0.04     0.00  -0.03  -0.02     0.00  -0.03  -0.02
    47   1    -0.04  -0.08   0.05     0.06  -0.03  -0.03     0.05  -0.03  -0.03
                    112                    113                    114
                      A                      A                      A
 Frequencies --   2995.4055              3011.2412              3012.1529
 Red. masses --      1.0732                 1.0713                 1.0691
 Frc consts  --      5.6732                 5.7232                 5.7152
 IR Inten    --     26.6144                27.2367                36.9672
 RamAct Fr= 1--    201.2409               217.2289               161.7205
  Dep-P Fr= 1--      0.2189                 0.2456                 0.1749
  Dep-U Fr= 1--      0.3591                 0.3944                 0.2977
 Alpha2 Fr= 1--      2.5983                 2.6060                 2.3457
 Beta2  Fr= 1--     12.0451                14.2796                 8.0237
 AlphaG Fr= 1--     -3.1580                 1.9806                -0.5611
 Gamma2 Fr= 1--     -7.4063                 2.1991                -5.6664
 Delta2 Fr= 1--      9.8373                -8.9346                 0.1812
 Raman1 Fr= 1--     804.964                868.916                646.882
 ROA1   Fr= 1--    -396.213                -74.794               -538.177
 CID1   Fr= 1--      -0.492                 -0.086                 -0.832
 Raman2 Fr= 1--     144.541                171.355                 96.284
 ROA2   Fr= 1--    -256.449                124.255               -137.444
 CID2   Fr= 1--      -1.774                  0.725                 -1.427
 Raman3 Fr= 1--     289.082                342.710                192.568
 ROA3   Fr= 1--    -396.213                -74.794               -538.177
 CID3   Fr= 1--      -1.371                 -0.218                 -2.795
 RC180  Fr= 1--      -0.282                 -0.211                 -0.405
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00    -0.04   0.01  -0.06    -0.00   0.00  -0.00
     5   6     0.00  -0.00  -0.00     0.01  -0.00   0.01     0.00  -0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    16   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    17   6     0.03  -0.07   0.02     0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.01   0.01  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.05  -0.04   0.04
    20   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.01   0.00  -0.01
    21  40    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    22  17     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.01   0.01   0.02     0.00   0.00   0.01
    27   1    -0.00  -0.00  -0.00    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    28   1    -0.00  -0.00   0.00    -0.01  -0.00   0.01    -0.00  -0.00   0.00
    29   1    -0.00  -0.00  -0.00    -0.02  -0.01  -0.03    -0.01  -0.00  -0.01
    30   1     0.00   0.00   0.00    -0.04  -0.03  -0.07    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.08   0.04   0.00    -0.00   0.00   0.00
    32   1    -0.00  -0.00  -0.00     0.61   0.09   0.74     0.02   0.00   0.02
    33   1     0.00   0.00   0.00    -0.06  -0.20  -0.03    -0.00  -0.01  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    38   1    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    39   1     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    40   1    -0.44   0.78  -0.38    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    41   1     0.09   0.03   0.13     0.00   0.00   0.00    -0.00  -0.00  -0.01
    42   1     0.05  -0.04  -0.04    -0.00   0.00   0.00     0.04  -0.02  -0.03
    43   1     0.04  -0.06   0.06    -0.00   0.00  -0.00     0.05  -0.09   0.08
    44   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.20  -0.18   0.10
    45   1     0.01  -0.01   0.01     0.01  -0.02   0.02    -0.35   0.62  -0.60
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.09   0.06
    47   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.04   0.03   0.08
                    115                    116                    117
                      A                      A                      A
 Frequencies --   3015.3944              3021.3914              3026.9659
 Red. masses --      1.0697                 1.0599                 1.0674
 Frc consts  --      5.7304                 5.7005                 5.7622
 IR Inten    --     25.7680                17.1308                18.0274
 RamAct Fr= 1--    199.1683                27.3904                75.8320
  Dep-P Fr= 1--      0.1214                 0.1258                 0.6908
  Dep-U Fr= 1--      0.2164                 0.2235                 0.8171
 Alpha2 Fr= 1--      3.3083                 0.4500                 0.0787
 Beta2  Fr= 1--      7.1848                 1.0203                10.3274
 AlphaG Fr= 1--      0.3657                -0.3908                 0.1041
 Gamma2 Fr= 1--      0.9435                -9.7413                39.5914
 Delta2 Fr= 1--     -4.3849                 0.8008                 0.3974
 Raman1 Fr= 1--     796.673                109.562                303.328
 ROA1   Fr= 1--     -49.739               -909.541               3813.487
 CID1   Fr= 1--      -0.062                 -8.302                 12.572
 Raman2 Fr= 1--      86.218                 12.244                123.929
 ROA2   Fr= 1--      57.723               -240.198                947.013
 CID2   Fr= 1--       0.670                -19.618                  7.642
 Raman3 Fr= 1--     172.435                 24.487                247.858
 ROA3   Fr= 1--     -49.739               -909.541               3813.487
 CID3   Fr= 1--      -0.288                -37.143                 15.386
 RC180  Fr= 1--      -0.567                 -0.553                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03    -0.02   0.03  -0.05    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   6     0.01   0.00   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.04  -0.03  -0.04    -0.02  -0.01  -0.00    -0.00  -0.00   0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.00  -0.00   0.00     0.00   0.01   0.00    -0.03  -0.05  -0.02
    11   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.04  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    14   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    19   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    23  17    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    25   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.16  -0.09  -0.37     0.28   0.17   0.67     0.04   0.03   0.10
    27   1    -0.00  -0.00   0.01    -0.03  -0.52  -0.05    -0.00  -0.06  -0.01
    28   1     0.13   0.07  -0.23     0.13   0.07  -0.21     0.02   0.01  -0.03
    29   1     0.39   0.32   0.70     0.12   0.10   0.23     0.01   0.01   0.02
    30   1    -0.05  -0.04  -0.09    -0.02  -0.01  -0.03    -0.00  -0.00  -0.00
    31   1    -0.06   0.02   0.00    -0.03   0.01   0.00    -0.01   0.00   0.00
    32   1     0.02   0.00   0.03    -0.01  -0.00  -0.01     0.00   0.00   0.00
    33   1    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   1     0.00   0.00  -0.00    -0.07  -0.08  -0.01     0.50   0.56   0.07
    35   1     0.00  -0.00  -0.00     0.02  -0.00  -0.02    -0.18   0.03   0.14
    36   1    -0.01  -0.00   0.01     0.05   0.01  -0.04    -0.17  -0.02   0.13
    37   1     0.01  -0.01   0.00    -0.05   0.05  -0.01     0.36  -0.41   0.06
    38   1    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    41   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    42   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    43   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    47   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
                    118                    119                    120
                      A                      A                      A
 Frequencies --   3035.3415              3039.4306              3040.7974
 Red. masses --      1.0701                 1.0616                 1.0602
 Frc consts  --      5.8089                 5.7784                 5.7756
 IR Inten    --     64.6112                14.4282                27.5564
 RamAct Fr= 1--    380.3296               155.3309               102.6220
  Dep-P Fr= 1--      0.1379                 0.0336                 0.7419
  Dep-U Fr= 1--      0.2424                 0.0651                 0.8519
 Alpha2 Fr= 1--      6.0615                 3.1898                 0.0141
 Beta2  Fr= 1--     15.3660                 1.6842                14.5698
 AlphaG Fr= 1--      4.1942                 2.5441                -0.2193
 Gamma2 Fr= 1--     -4.1250                -8.9173                19.2978
 Delta2 Fr= 1--      6.6395               -12.0332                 2.8642
 Raman1 Fr= 1--    1521.319                621.324                410.488
 ROA1   Fr= 1--    -183.532              -1241.119               1944.240
 CID1   Fr= 1--      -0.121                 -1.998                  4.736
 Raman2 Fr= 1--     184.392                 20.211                174.838
 ROA2   Fr= 1--    -152.116               -117.749                440.233
 CID2   Fr= 1--      -0.825                 -5.826                  2.518
 Raman3 Fr= 1--     368.784                 40.421                349.676
 ROA3   Fr= 1--    -183.532              -1241.119               1944.240
 CID3   Fr= 1--      -0.498                -30.705                  5.560
 RC180  Fr= 1--      -0.515                 -0.870                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.02  -0.04  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   6     0.03  -0.05   0.02     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01
    18   6    -0.00   0.00  -0.00    -0.01  -0.00   0.03    -0.02  -0.01   0.05
    19   6     0.00  -0.00   0.00     0.01   0.01  -0.01     0.01   0.00  -0.00
    20   6    -0.00  -0.00  -0.00    -0.01  -0.05  -0.01     0.00   0.04   0.01
    21  40     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1     0.00   0.02   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1     0.01   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    31   1    -0.01   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    34   1     0.38   0.42   0.06     0.01   0.01   0.00     0.02   0.03   0.00
    35   1    -0.11   0.02   0.08     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    36   1     0.19   0.03  -0.15    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    37   1    -0.50   0.57  -0.09     0.00  -0.00   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1    -0.00   0.00  -0.00     0.01  -0.01   0.00     0.01  -0.02   0.00
    41   1    -0.02  -0.01  -0.03     0.06   0.03   0.09     0.09   0.06   0.15
    42   1    -0.01   0.00   0.00     0.26  -0.18  -0.18     0.43  -0.30  -0.29
    43   1     0.01  -0.01   0.01    -0.14   0.23  -0.20    -0.23   0.37  -0.33
    44   1     0.00   0.00  -0.00    -0.19  -0.15   0.08    -0.06  -0.05   0.03
    45   1    -0.00   0.00  -0.00     0.02  -0.02   0.02    -0.00   0.01  -0.01
    46   1    -0.00   0.01  -0.01    -0.14   0.46  -0.34     0.09  -0.31   0.23
    47   1     0.00   0.00   0.01     0.21   0.18   0.49    -0.14  -0.12  -0.32
                    121                    122                    123
                      A                      A                      A
 Frequencies --   3045.2407              3052.5407              3063.0044
 Red. masses --      1.0627                 1.0968                 1.0877
 Frc consts  --      5.8064                 6.0215                 6.0127
 IR Inten    --     22.2354                28.4584                30.9031
 RamAct Fr= 1--    145.3409                92.1365                27.3729
  Dep-P Fr= 1--      0.2977                 0.2170                 0.2581
  Dep-U Fr= 1--      0.4588                 0.3566                 0.4104
 Alpha2 Fr= 1--      1.5011                 1.1957                 0.3171
 Beta2  Fr= 1--     11.1130                 5.4755                 1.8721
 AlphaG Fr= 1--     -0.3353                -2.1741                -0.0955
 Gamma2 Fr= 1--    -32.6971               -13.0139                 2.5658
 Delta2 Fr= 1--     -3.1037                -2.3406                 3.5646
 Raman1 Fr= 1--     581.364                368.546                109.492
 ROA1   Fr= 1--   -3238.237              -1324.233                360.382
 CID1   Fr= 1--      -5.570                 -3.593                  3.291
 Raman2 Fr= 1--     133.356                 65.706                 22.465
 ROA2   Fr= 1--    -759.900               -293.609                 33.062
 CID2   Fr= 1--      -5.698                 -4.469                  1.472
 Raman3 Fr= 1--     266.712                131.412                 44.930
 ROA3   Fr= 1--   -3238.237              -1324.233                360.382
 CID3   Fr= 1--     -12.141                -10.077                  8.021
 RC180  Fr= 1--      -0.082                 -0.287                 -0.179
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.02  -0.08  -0.04     0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.03   0.04   0.04     0.00   0.00   0.01    -0.00   0.00   0.00
     6   6     0.01   0.00  -0.02    -0.02  -0.01   0.01    -0.00  -0.00   0.00
     7   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.00
    12   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    15   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    17   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.04  -0.02  -0.06
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.01
    20   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    21  40     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    22  17     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    23  17    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    25   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    26   1     0.01   0.01   0.03     0.17   0.08   0.40     0.00   0.00   0.00
    27   1    -0.00  -0.04  -0.00     0.03   0.84   0.06     0.00  -0.01  -0.00
    28   1    -0.15  -0.07   0.23     0.12   0.06  -0.19     0.01   0.00  -0.01
    29   1     0.04   0.03   0.06     0.06   0.05   0.12    -0.00  -0.00  -0.00
    30   1    -0.32  -0.22  -0.49    -0.05  -0.03  -0.08    -0.00  -0.00  -0.00
    31   1     0.66  -0.26  -0.00     0.01  -0.01   0.00     0.00  -0.00  -0.00
    32   1     0.02  -0.00   0.02     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   1     0.02   0.10   0.01     0.00   0.02   0.00    -0.00  -0.00  -0.00
    34   1     0.01   0.01   0.00    -0.02  -0.01  -0.00     0.06   0.07   0.01
    35   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.16  -0.04  -0.13
    36   1     0.00   0.00  -0.00    -0.02  -0.00   0.01    -0.07  -0.01   0.06
    37   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.02   0.03  -0.01
    38   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.04  -0.10   0.03
    41   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.47   0.28   0.71
    42   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.17   0.11   0.12
    43   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
    44   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.15   0.12  -0.07
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.03   0.04  -0.04
    46   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.05   0.03
    47   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.04   0.04   0.10
                    124                    125                    126
                      A                      A                      A
 Frequencies --   3067.9194              3068.9914              3074.6885
 Red. masses --      1.0934                 1.0960                 1.1012
 Frc consts  --      6.0632                 6.0819                 6.1334
 IR Inten    --     36.3904                57.1642                31.2081
 RamAct Fr= 1--    270.9756               260.0308               153.9186
  Dep-P Fr= 1--      0.1913                 0.2800                 0.4625
  Dep-U Fr= 1--      0.3212                 0.4375                 0.6325
 Alpha2 Fr= 1--      3.7653                 2.8288                 0.8963
 Beta2  Fr= 1--     14.5050                18.9623                16.2261
 AlphaG Fr= 1--      1.0337                 0.1333                 0.4033
 Gamma2 Fr= 1--     33.1061                37.1161               -41.2388
 Delta2 Fr= 1--     17.5125                12.9356               -26.0226
 Raman1 Fr= 1--    1083.902               1040.123                615.675
 ROA1   Fr= 1--    3738.588               3977.083              -4791.644
 CID1   Fr= 1--       3.449                  3.824                 -7.783
 Raman2 Fr= 1--     174.060                227.548                194.714
 ROA2   Fr= 1--     654.446                787.301               -781.550
 CID2   Fr= 1--       3.760                  3.460                 -4.014
 Raman3 Fr= 1--     348.120                455.096                389.427
 ROA3   Fr= 1--    3738.588               3977.083              -4791.644
 CID3   Fr= 1--      10.739                  8.739                -12.304
 RC180  Fr= 1--      -0.358                 -0.125                  0.265
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00    -0.01  -0.01  -0.02    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00     0.03  -0.01  -0.00    -0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.02   0.01  -0.08     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    17   6     0.01   0.00   0.01    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6    -0.01   0.00   0.01     0.00  -0.00   0.00    -0.03   0.03   0.00
    19   6    -0.04  -0.04   0.02    -0.00  -0.00   0.00    -0.03  -0.04   0.02
    20   6    -0.02   0.01  -0.05    -0.00   0.00  -0.00     0.02  -0.02   0.06
    21  40     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23  17    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    24   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    25   1     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    26   1    -0.00  -0.00  -0.01     0.08   0.04   0.18     0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00     0.00   0.07   0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.01  -0.01    -0.45  -0.23   0.67    -0.00  -0.00   0.01
    29   1    -0.00  -0.00  -0.01     0.16   0.13   0.26     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.02   0.01   0.02     0.00   0.00   0.00
    31   1     0.01  -0.00  -0.00    -0.32   0.13   0.01     0.00  -0.00  -0.00
    32   1     0.00   0.00   0.00    -0.03  -0.00  -0.03    -0.00  -0.00  -0.00
    33   1    -0.00  -0.00   0.00    -0.01  -0.04  -0.00    -0.00  -0.01  -0.00
    34   1    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   1    -0.04   0.01   0.04    -0.01   0.00   0.01     0.03  -0.01  -0.03
    36   1     0.03   0.01  -0.02     0.01   0.00  -0.01    -0.03  -0.01   0.02
    37   1     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    38   1    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    39   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    40   1    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.02  -0.04   0.02
    41   1    -0.10  -0.06  -0.15     0.01   0.00   0.01     0.02   0.01   0.03
    42   1     0.14  -0.10  -0.10    -0.00   0.00   0.00     0.25  -0.17  -0.19
    43   1    -0.04   0.06  -0.05    -0.00   0.01  -0.00     0.09  -0.15   0.14
    44   1     0.52   0.40  -0.22     0.01   0.01  -0.01     0.39   0.31  -0.17
    45   1    -0.05   0.06  -0.06    -0.00   0.00  -0.00    -0.09   0.14  -0.13
    46   1     0.07  -0.27   0.18     0.00  -0.01   0.01    -0.12   0.44  -0.30
    47   1     0.20   0.19   0.48     0.01   0.01   0.02    -0.16  -0.15  -0.37
                    127                    128                    129
                      A                      A                      A
 Frequencies --   3076.6353              3076.7421              3082.6544
 Red. masses --      1.0915                 1.0901                 1.1040
 Frc consts  --      6.0871                 6.0797                 6.1814
 IR Inten    --      3.4640                16.0859                28.4309
 RamAct Fr= 1--     96.5485                80.8567                52.8372
  Dep-P Fr= 1--      0.1885                 0.3879                 0.7000
  Dep-U Fr= 1--      0.3172                 0.5590                 0.8235
 Alpha2 Fr= 1--      1.3515                 0.6250                 0.0461
 Beta2  Fr= 1--      5.1045                 7.5329                 7.2520
 AlphaG Fr= 1--     -0.6446                 1.3155                -0.0094
 Gamma2 Fr= 1--    -17.9748                -5.4794               -17.1918
 Delta2 Fr= 1--      0.0759               -17.4428                -8.9872
 Raman1 Fr= 1--     386.194                323.427                211.349
 ROA1   Fr= 1--   -1723.155              -1084.188              -1938.006
 CID1   Fr= 1--      -4.462                 -3.352                 -9.170
 Raman2 Fr= 1--      61.254                 90.395                 87.024
 ROA2   Fr= 1--    -432.004                  8.038               -340.706
 CID2   Fr= 1--      -7.053                  0.089                 -3.915
 Raman3 Fr= 1--     122.508                180.789                174.048
 ROA3   Fr= 1--   -1723.155              -1084.188              -1938.006
 CID3   Fr= 1--     -14.066                 -5.997                -11.135
 RC180  Fr= 1--      -0.366                  0.118                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.01   0.02   0.00    -0.02  -0.07  -0.01     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.00     0.03  -0.00   0.01     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.01    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    10   6     0.04  -0.00  -0.03     0.01  -0.00  -0.01    -0.00   0.00   0.00
    11   6    -0.06   0.00   0.04    -0.02   0.00   0.01     0.01  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.01
    18   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.05  -0.06   0.01
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.02   0.02
    20   6     0.00  -0.00   0.01     0.00  -0.00   0.00     0.01  -0.01   0.02
    21  40     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    22  17     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    23  17     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    24   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    26   1    -0.01  -0.00  -0.02    -0.01  -0.01  -0.02     0.00   0.00   0.00
    27   1     0.00   0.04   0.00    -0.00  -0.02  -0.00    -0.00  -0.00  -0.00
    28   1     0.01   0.00  -0.01     0.01   0.01  -0.02     0.00   0.00  -0.00
    29   1     0.00   0.00   0.01    -0.03  -0.02  -0.05    -0.00  -0.00  -0.00
    30   1     0.02   0.02   0.04    -0.08  -0.06  -0.13    -0.00  -0.00  -0.00
    31   1     0.08  -0.03  -0.00    -0.24   0.10   0.01    -0.00   0.00   0.00
    32   1    -0.02   0.00  -0.03     0.09  -0.00   0.11    -0.00  -0.00  -0.00
    33   1    -0.06  -0.25  -0.02     0.21   0.86   0.07    -0.00  -0.00  -0.00
    34   1    -0.06  -0.08  -0.02    -0.02  -0.02  -0.00    -0.00  -0.00  -0.00
    35   1    -0.40   0.09   0.33    -0.12   0.03   0.10     0.01  -0.00  -0.01
    36   1     0.55   0.11  -0.46     0.16   0.03  -0.13    -0.07  -0.01   0.05
    37   1     0.13  -0.17   0.03     0.04  -0.05   0.01    -0.02   0.02  -0.00
    38   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    40   1     0.01  -0.01   0.00     0.00  -0.01   0.00    -0.05   0.11  -0.05
    41   1     0.10   0.06   0.16     0.03   0.02   0.05    -0.09  -0.05  -0.13
    42   1    -0.05   0.03   0.04    -0.01   0.01   0.01    -0.36   0.25   0.27
    43   1    -0.02   0.03  -0.03    -0.01   0.01  -0.01    -0.29   0.47  -0.44
    44   1     0.03   0.02  -0.01     0.02   0.01  -0.01     0.16   0.13  -0.07
    45   1    -0.01   0.02  -0.02    -0.01   0.01  -0.01    -0.10   0.15  -0.15
    46   1    -0.01   0.04  -0.03    -0.01   0.02  -0.01    -0.05   0.17  -0.12
    47   1    -0.02  -0.02  -0.04    -0.01  -0.01  -0.02    -0.06  -0.05  -0.14
                    130                    131                    132
                      A                      A                      A
 Frequencies --   3087.1262              3097.2284              3227.9493
 Red. masses --      1.1033                 1.0941                 1.0913
 Frc consts  --      6.1951                 6.1836                 6.6997
 IR Inten    --     28.4022                26.9588                 0.6192
 RamAct Fr= 1--     61.5105                38.9241                41.9596
  Dep-P Fr= 1--      0.6495                 0.6713                 0.4893
  Dep-U Fr= 1--      0.7875                 0.8033                 0.6571
 Alpha2 Fr= 1--      0.1110                 0.0543                 0.2176
 Beta2  Fr= 1--      8.0735                 5.2116                 4.5951
 AlphaG Fr= 1--     -0.0051                 0.0129                -0.0555
 Gamma2 Fr= 1--     24.9693                42.7043                 6.6812
 Delta2 Fr= 1--      9.6042                15.2387                 2.0077
 Raman1 Fr= 1--     246.042                155.696                167.839
 ROA1   Fr= 1--    2704.391               4587.248                705.639
 CID1   Fr= 1--      10.992                 29.463                  4.204
 Raman2 Fr= 1--      96.882                 62.539                 55.142
 ROA2   Fr= 1--     522.430                902.993                144.287
 CID2   Fr= 1--       5.392                 14.439                  2.617
 Raman3 Fr= 1--     193.764                125.078                110.283
 ROA3   Fr= 1--    2704.391               4587.248                705.639
 CID3   Fr= 1--      13.957                 36.675                  6.398
 RC180  Fr= 1--       0.575                  0.607                  0.314
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     4   6    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   6    -0.07  -0.01  -0.05     0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00  -0.02     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6    -0.00  -0.00   0.00    -0.06  -0.00   0.04    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.05   0.00   0.03    -0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   6    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.02  -0.02
    16   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.06  -0.01   0.05
    17   6     0.00  -0.00   0.00     0.01   0.00   0.01    -0.00  -0.00   0.00
    18   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    19   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    22  17    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    23  17    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.01   0.00   0.00     0.03  -0.01  -0.03
    25   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.01
    26   1     0.03   0.01   0.06    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    27   1     0.00   0.04   0.00     0.00   0.02   0.00     0.00  -0.00   0.00
    28   1    -0.06  -0.03   0.09     0.00   0.00  -0.00    -0.00  -0.00   0.00
    29   1     0.09   0.08   0.15    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   1     0.36   0.27   0.59    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.48  -0.20  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
    32   1     0.11   0.01   0.14    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1     0.07   0.28   0.02     0.00   0.00   0.00     0.00   0.00  -0.00
    34   1     0.00   0.00   0.00     0.13   0.16   0.03     0.00   0.00   0.00
    35   1     0.00  -0.00  -0.00     0.57  -0.13  -0.48     0.00  -0.00  -0.00
    36   1     0.00   0.00  -0.00     0.42   0.09  -0.35     0.01   0.00  -0.00
    37   1     0.00  -0.00   0.00     0.13  -0.16   0.03    -0.00   0.00  -0.00
    38   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.74   0.12  -0.56
    39   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.02   0.26   0.21
    40   1    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    41   1    -0.00  -0.00  -0.00    -0.07  -0.04  -0.11     0.00   0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    43   1    -0.00   0.00  -0.00    -0.01   0.02  -0.01     0.00  -0.00   0.00
    44   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    45   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    46   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                    133                    134                    135
                      A                      A                      A
 Frequencies --   3228.9573              3248.9682              3249.5368
 Red. masses --      1.0914                 1.0976                 1.0975
 Frc consts  --      6.7043                 6.8262                 6.8284
 IR Inten    --      0.2446                 0.0918                 0.1275
 RamAct Fr= 1--     45.0441                90.0742                91.1342
  Dep-P Fr= 1--      0.5190                 0.1785                 0.1715
  Dep-U Fr= 1--      0.6833                 0.3030                 0.2928
 Alpha2 Fr= 1--      0.2030                 1.2941                 1.3334
 Beta2  Fr= 1--      5.1300                 4.5484                 4.4475
 AlphaG Fr= 1--     -0.0790                -0.2292                -0.0752
 Gamma2 Fr= 1--     -1.8443                 0.8996                 3.7046
 Delta2 Fr= 1--     -3.3394                 0.4853                 1.4256
 Raman1 Fr= 1--     180.176                360.297                364.537
 ROA1   Fr= 1--    -283.911                101.894                401.261
 CID1   Fr= 1--      -1.576                  0.283                  1.101
 Raman2 Fr= 1--      61.560                 54.581                 53.370
 ROA2   Fr= 1--     -17.547                 17.709                 77.505
 CID2   Fr= 1--      -0.285                  0.324                  1.452
 Raman3 Fr= 1--     123.120                109.161                106.739
 ROA3   Fr= 1--    -283.911                101.894                401.261
 CID3   Fr= 1--      -2.306                  0.933                  3.759
 RC180  Fr= 1--       0.367                 -0.394                 -0.414
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.00   0.02  -0.02    -0.00  -0.07   0.05    -0.00  -0.00   0.00
     8   6    -0.06   0.01   0.05    -0.03   0.01   0.02    -0.00   0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.07  -0.05
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.03   0.01  -0.02
    17   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    21  40    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    22  17    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    23  17     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    24   1     0.71  -0.14  -0.58     0.27  -0.05  -0.22     0.00  -0.00  -0.00
    25   1    -0.02  -0.27   0.22     0.05   0.72  -0.58     0.00   0.01  -0.01
    26   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    27   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    28   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    29   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    32   1     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    34   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   1     0.01  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    37   1     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    38   1    -0.04  -0.01   0.03     0.00   0.00  -0.00    -0.26  -0.05   0.19
    39   1     0.00  -0.01  -0.01     0.00  -0.01  -0.01    -0.06   0.74   0.58
    40   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    41   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    42   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    43   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    44   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    45   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    46   1     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    47   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number 40 and mass  89.90430
 Atom    22 has atomic number 17 and mass  34.96885
 Atom    23 has atomic number 17 and mass  34.96885
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Molecular mass:   424.02981 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  4791.519389383.12328**********
           X            0.99999  -0.00020  -0.00471
           Y            0.00021   0.99999   0.00321
           Z            0.00471  -0.00321   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.01808     0.00923     0.00831
 Rotational constants (GHZ):           0.37665     0.19234     0.17314
 Zero-point vibrational energy    1036628.3 (Joules/Mol)
                                  247.76010 (Kcal/Mol)
 Warning -- explicit consideration of  35 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     33.44   109.83   128.20   140.05   172.23
          (Kelvin)            174.51   179.38   198.73   204.89   235.76
                              262.14   271.31   283.96   340.04   376.41
                              402.55   409.94   447.31   458.40   469.30
                              488.98   494.85   521.33   527.58   594.87
                              610.71   618.09   646.06   656.31   680.62
                              718.88   747.76   829.44   866.36   893.02
                              915.76   945.19   963.53   992.76  1001.92
                             1039.62  1068.10  1173.22  1177.62  1198.24
                             1202.02  1243.57  1244.52  1259.85  1263.42
                             1309.31  1324.41  1328.92  1335.98  1338.15
                             1371.54  1395.07  1396.07  1441.94  1479.76
                             1522.35  1523.90  1533.10  1553.46  1562.35
                             1588.33  1590.16  1641.92  1677.61  1679.51
                             1686.42  1689.41  1706.31  1728.79  1749.48
                             1762.29  1787.54  1838.12  1839.09  1856.83
                             1865.90  1885.75  1892.67  1941.57  1952.10
                             1959.29  1970.38  1972.37  1978.24  1978.84
                             1981.79  1995.84  2002.88  2028.32  2031.50
                             2111.97  2115.13  2123.22  2127.51  2133.07
                             2136.01  2144.46  2152.02  2153.36  2156.16
                             2161.42  2164.68  2165.91  2167.32  2196.01
                             2196.85  4309.72  4332.50  4333.82  4338.48
                             4347.11  4355.13  4367.18  4373.06  4375.03
                             4381.42  4391.93  4406.98  4414.05  4415.59
                             4423.79  4426.59  4426.75  4435.25  4441.69
                             4456.22  4644.30  4645.75  4674.54  4675.36
 
 Zero-point correction=                           0.394831 (Hartree/Particle)
 Thermal correction to Energy=                    0.416033
 Thermal correction to Enthalpy=                  0.416977
 Thermal correction to Gibbs Free Energy=         0.346177
 Sum of electronic and zero-point Energies=          -1744.372617
 Sum of electronic and thermal Energies=             -1744.351415
 Sum of electronic and thermal Enthalpies=           -1744.350471
 Sum of electronic and thermal Free Energies=        -1744.421272
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  261.065             85.483            149.012
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             44.024
 Rotational               0.889              2.981             34.504
 Vibrational            259.287             79.521             70.484
 Vibration     1          0.593              1.985              6.336
 Vibration     2          0.599              1.965              3.983
 Vibration     3          0.602              1.957              3.680
 Vibration     4          0.603              1.951              3.507
 Vibration     5          0.609              1.933              3.105
 Vibration     6          0.609              1.931              3.080
 Vibration     7          0.610              1.928              3.027
 Vibration     8          0.614              1.915              2.830
 Vibration     9          0.616              1.911              2.771
 Vibration    10          0.623              1.887              2.505
 Vibration    11          0.630              1.864              2.306
 Vibration    12          0.633              1.856              2.242
 Vibration    13          0.637              1.844              2.158
 Vibration    14          0.655              1.785              1.830
 Vibration    15          0.669              1.743              1.651
 Vibration    16          0.680              1.711              1.535
 Vibration    17          0.683              1.702              1.504
 Vibration    18          0.700              1.653              1.358
 Vibration    19          0.705              1.638              1.317
 Vibration    20          0.710              1.623              1.279
 Vibration    21          0.720              1.596              1.213
 Vibration    22          0.723              1.588              1.194
 Vibration    23          0.736              1.550              1.112
 Vibration    24          0.740              1.541              1.094
 Vibration    25          0.777              1.441              0.914
 Vibration    26          0.786              1.417              0.877
 Vibration    27          0.791              1.406              0.860
 Vibration    28          0.808              1.363              0.799
 Vibration    29          0.814              1.347              0.777
 Vibration    30          0.830              1.310              0.729
 Vibration    31          0.855              1.251              0.659
 Vibration    32          0.875              1.206              0.611
 Vibration    33          0.933              1.082              0.492
 Vibration    34          0.960              1.027              0.446
 Vibration    35          0.981              0.988              0.415
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.588683-159       -159.230119       -366.640898
 Total V=0       0.239500D+23         22.379305         51.530254
 Vib (Bot)       0.221346-174       -174.654929       -402.157835
 Vib (Bot)    1  0.891058D+01          0.949906          2.187239
 Vib (Bot)    2  0.269930D+01          0.431251          0.992992
 Vib (Bot)    3  0.230782D+01          0.363203          0.836305
 Vib (Bot)    4  0.210947D+01          0.324174          0.746439
 Vib (Bot)    5  0.170733D+01          0.232317          0.534929
 Vib (Bot)    6  0.168434D+01          0.226431          0.521376
 Vib (Bot)    7  0.163728D+01          0.214124          0.493039
 Vib (Bot)    8  0.147289D+01          0.168169          0.387223
 Vib (Bot)    9  0.142695D+01          0.154408          0.355537
 Vib (Bot)   10  0.123227D+01          0.090706          0.208859
 Vib (Bot)   11  0.110153D+01          0.041996          0.096701
 Vib (Bot)   12  0.106191D+01          0.026087          0.060069
 Vib (Bot)   13  0.101131D+01          0.004884          0.011245
 Vib (Bot)   14  0.831028D+00         -0.080384         -0.185092
 Vib (Bot)   15  0.741834D+00         -0.129693         -0.298630
 Vib (Bot)   16  0.687253D+00         -0.162883         -0.375053
 Vib (Bot)   17  0.673025D+00         -0.171969         -0.395972
 Vib (Bot)   18  0.607894D+00         -0.216172         -0.497754
 Vib (Bot)   19  0.590514D+00         -0.228770         -0.526762
 Vib (Bot)   20  0.574164D+00         -0.240964         -0.554840
 Vib (Bot)   21  0.546407D+00         -0.262483         -0.604391
 Vib (Bot)   22  0.538535D+00         -0.268786         -0.618903
 Vib (Bot)   23  0.505056D+00         -0.296661         -0.683087
 Vib (Bot)   24  0.497617D+00         -0.303105         -0.697926
 Vib (Bot)   25  0.426805D+00         -0.369770         -0.851427
 Vib (Bot)   26  0.412260D+00         -0.384829         -0.886101
 Vib (Bot)   27  0.405721D+00         -0.391773         -0.902090
 Vib (Bot)   28  0.382200D+00         -0.417709         -0.961812
 Vib (Bot)   29  0.374049D+00         -0.427071         -0.983367
 Vib (Bot)   30  0.355645D+00         -0.448983         -1.033822
 Vib (Bot)   31  0.329041D+00         -0.482750         -1.111572
 Vib (Bot)   32  0.310657D+00         -0.507719         -1.169066
 Vib (Bot)   33  0.265255D+00         -0.576337         -1.327065
 Vib (Bot)   34  0.247429D+00         -0.606549         -1.396631
 Vib (Bot)   35  0.235446D+00         -0.628109         -1.446274
 Vib (V=0)       0.900524D+07          6.954495         16.013317
 Vib (V=0)    1  0.942460D+01          0.974263          2.243323
 Vib (V=0)    2  0.324522D+01          0.511244          1.177182
 Vib (V=0)    3  0.286137D+01          0.456574          1.051300
 Vib (V=0)    4  0.266792D+01          0.426173          0.981299
 Vib (V=0)    5  0.227903D+01          0.357751          0.823752
 Vib (V=0)    6  0.225699D+01          0.353530          0.814032
 Vib (V=0)    7  0.221193D+01          0.344771          0.793865
 Vib (V=0)    8  0.205544D+01          0.312905          0.720490
 Vib (V=0)    9  0.201201D+01          0.303630          0.699134
 Vib (V=0)   10  0.182985D+01          0.262415          0.604232
 Vib (V=0)   11  0.170970D+01          0.232919          0.536317
 Vib (V=0)   12  0.167373D+01          0.223686          0.515057
 Vib (V=0)   13  0.162816D+01          0.211697          0.487450
 Vib (V=0)   14  0.146985D+01          0.167273          0.385160
 Vib (V=0)   15  0.139460D+01          0.144451          0.332611
 Vib (V=0)   16  0.134989D+01          0.130299          0.300025
 Vib (V=0)   17  0.133843D+01          0.126595          0.291496
 Vib (V=0)   18  0.128711D+01          0.109614          0.252396
 Vib (V=0)   19  0.127376D+01          0.105088          0.241974
 Vib (V=0)   20  0.126136D+01          0.100838          0.232188
 Vib (V=0)   21  0.124065D+01          0.093649          0.215635
 Vib (V=0)   22  0.123486D+01          0.091618          0.210958
 Vib (V=0)   23  0.121069D+01          0.083033          0.191191
 Vib (V=0)   24  0.120542D+01          0.081140          0.186831
 Vib (V=0)   25  0.115739D+01          0.063480          0.146168
 Vib (V=0)   26  0.114804D+01          0.059958          0.138058
 Vib (V=0)   27  0.114390D+01          0.058389          0.134445
 Vib (V=0)   28  0.112935D+01          0.052827          0.121639
 Vib (V=0)   29  0.112443D+01          0.050932          0.117276
 Vib (V=0)   30  0.111358D+01          0.046722          0.107582
 Vib (V=0)   31  0.109855D+01          0.040822          0.093996
 Vib (V=0)   32  0.108865D+01          0.036888          0.084937
 Vib (V=0)   33  0.106600D+01          0.027759          0.063917
 Vib (V=0)   34  0.105787D+01          0.024433          0.056259
 Vib (V=0)   35  0.105266D+01          0.022289          0.051322
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.343201D+09          8.535548         19.653827
 Rotational      0.774928D+07          6.889261         15.863111
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000054649    0.000000164    0.000035922
      2        6           0.000032068    0.000015398    0.000020106
      3        6           0.000021223   -0.000004821   -0.000002532
      4        6           0.000043029   -0.000001376   -0.000037326
      5        6          -0.000014612    0.000001279    0.000013789
      6        6           0.000016017    0.000006126   -0.000004607
      7        6           0.000011618    0.000010236    0.000006225
      8        6          -0.000011845    0.000013321   -0.000007057
      9        6           0.000002240   -0.000003493   -0.000009018
     10        6          -0.000011397    0.000017289    0.000010830
     11        6           0.000011984    0.000004770    0.000002577
     12        6          -0.000015859   -0.000003678   -0.000002867
     13        6          -0.000012357   -0.000028466    0.000015488
     14        6          -0.000034588   -0.000009016    0.000016235
     15        6          -0.000023348    0.000005617   -0.000002954
     16        6           0.000019741    0.000008289    0.000027701
     17        6           0.000052473    0.000023101   -0.000054079
     18        6          -0.000019397    0.000012529    0.000025721
     19        6           0.000016105   -0.000005558   -0.000005499
     20        6           0.000003731    0.000011181    0.000006058
     21       40          -0.000019904   -0.000039058   -0.000072933
     22       17          -0.000010590    0.000021694    0.000048482
     23       17          -0.000008588    0.000048716   -0.000020528
     24        1           0.000008234   -0.000008579    0.000006679
     25        1          -0.000002216   -0.000005294   -0.000002046
     26        1           0.000035208    0.000004619    0.000005951
     27        1          -0.000017455    0.000001752    0.000007988
     28        1           0.000001462   -0.000000113    0.000001270
     29        1           0.000003319   -0.000001040    0.000001770
     30        1           0.000022009   -0.000018924   -0.000010517
     31        1          -0.000000814   -0.000001302    0.000002598
     32        1          -0.000002833   -0.000003511    0.000001679
     33        1          -0.000009857    0.000004041   -0.000021503
     34        1           0.000001132    0.000003096    0.000000702
     35        1           0.000000440    0.000004274    0.000013366
     36        1           0.000013080   -0.000002886    0.000004092
     37        1          -0.000002084   -0.000003030   -0.000000152
     38        1          -0.000031387   -0.000021628   -0.000000003
     39        1          -0.000001485    0.000003017    0.000004315
     40        1          -0.000003285   -0.000003456    0.000003870
     41        1           0.000018767   -0.000003339   -0.000060336
     42        1          -0.000001490    0.000000338   -0.000002089
     43        1          -0.000037134   -0.000037553    0.000020659
     44        1          -0.000001970    0.000000011   -0.000005068
     45        1          -0.000006383    0.000002609   -0.000001168
     46        1           0.000019570   -0.000018039    0.000022222
     47        1           0.000002079    0.000000693   -0.000004010
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000072933 RMS     0.000019124
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.337543D+03 -0.426099D+00 -0.274184D+01
      2  -0.426099D+00  0.270473D+03  0.386287D+00
      3  -0.274184D+01  0.386287D+00  0.251822D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.288743D+00 -0.961394D+00 -0.488757D+02
      2  -0.673168D+00 -0.138768D+02 -0.184804D+01
      3   0.792178D+02 -0.449874D+01  0.144220D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.333862D+01 -0.999373D+02 -0.775783D+01
      2   0.782168D+01  0.194988D+03  0.339014D+00
      3  -0.448305D+01 -0.950504D+02  0.741882D+01
      4   0.324291D+02  0.146525D+02 -0.317921D+02
      5  -0.144308D+02 -0.280192D+02 -0.797698D+01
      6  -0.760931D+01 -0.111460D+02  0.119381D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.504341D+01  0.103239D+01  0.897880D+00  0.109584D+01 -0.183619D+01
      2   0.103239D+01 -0.664289D+00  0.340564D-02 -0.183619D+01 -0.665998D+01
      3   0.897880D+00  0.340564D-02  0.156114D+01  0.567217D+00  0.807435D+00
                 6             7             8             9            10 
      1   0.567217D+00  0.269738D+01  0.751425D+00  0.279300D+00  0.927018D+01
      2   0.807435D+00  0.751425D+00  0.729048D+00 -0.369347D+00  0.328669D+01
      3   0.790949D+00  0.279300D+00 -0.369347D+00  0.384536D+01 -0.227776D+00
                11            12            13            14            15 
      1   0.328669D+01 -0.227776D+00  0.973410D+01  0.296958D+01 -0.297254D+01
      2   0.530522D+01 -0.180394D+01  0.296958D+01  0.345525D+00  0.302899D+00
      3  -0.180394D+01  0.145434D+01 -0.297254D+01  0.302899D+00  0.191956D+01
                16            17            18            19            20 
      1  -0.597127D+01 -0.453829D+00  0.288622D+01  0.143055D+02 -0.273611D+01
      2  -0.453829D+00 -0.274443D+01  0.122943D+01 -0.273611D+01  0.266574D+01
      3   0.288622D+01  0.122943D+01 -0.200629D+01  0.500925D+01 -0.130820D+01
                21            22            23            24            25 
      1   0.500925D+01 -0.979720D+01  0.632385D+00  0.330796D+01  0.398878D+01
      2  -0.130820D+01  0.632385D+00 -0.642248D+00 -0.405836D+00  0.255319D+01
      3   0.288238D+01  0.330796D+01 -0.405836D+00 -0.654540D+00 -0.194583D+01
                26            27            28            29            30 
      1   0.255319D+01 -0.194583D+01 -0.662582D+01  0.614171D+00 -0.357167D+01
      2  -0.259654D+01 -0.103545D+00  0.614171D+00  0.741908D+00  0.115496D+01
      3  -0.103545D+00  0.328972D+00 -0.357167D+01  0.115496D+01 -0.334425D+01
                31            32            33            34            35 
      1   0.151127D+01 -0.131863D+01  0.594634D+00 -0.537376D+01  0.133719D+01
      2  -0.131863D+01  0.537325D+01 -0.453222D+00  0.133719D+01  0.770691D+00
      3   0.594634D+00 -0.453222D+00 -0.614093D+00 -0.542716D+01 -0.424938D+00
                36            37            38            39            40 
      1  -0.542716D+01 -0.757815D+01  0.493094D+01  0.106996D+01  0.571512D+01
      2  -0.424938D+00  0.493094D+01 -0.999918D+00 -0.176383D+00 -0.101801D+01
      3  -0.187383D+01  0.106996D+01 -0.176383D+00  0.279764D+01 -0.125712D+00
                41            42            43            44            45 
      1  -0.101801D+01 -0.125712D+00 -0.123188D+00 -0.530885D-01  0.370252D+01
      2  -0.212529D+01  0.859246D+00 -0.530885D-01  0.771236D+00  0.201917D+01
      3   0.859246D+00  0.196492D+01  0.370252D+01  0.201917D+01  0.617659D+00
                46            47            48            49            50 
      1   0.197683D+01 -0.371286D+01  0.596447D+00 -0.614088D+01 -0.113442D+01
      2  -0.371286D+01 -0.601953D+00  0.359047D+00 -0.113442D+01  0.242284D+01
      3   0.596447D+00  0.359047D+00 -0.382429D+01  0.419076D+00 -0.525395D+00
                51            52            53            54            55 
      1   0.419076D+00  0.221401D+01  0.499075D+00 -0.674716D+01  0.244747D+01
      2  -0.525395D+00  0.499075D+00 -0.418452D+00 -0.331089D+01  0.128513D+01
      3  -0.270945D+01 -0.674716D+01 -0.331089D+01  0.895412D+00  0.260850D+00
                56            57            58            59            60 
      1   0.128513D+01  0.260850D+00 -0.126519D+01 -0.647455D+00  0.146106D+01
      2  -0.251926D+01  0.169710D+00 -0.647455D+00  0.104849D+01 -0.227936D+00
      3   0.169710D+00  0.441567D+01  0.146106D+01 -0.227936D+00 -0.113653D+01
                61            62            63            64            65 
      1   0.432357D+01 -0.201172D+01  0.565682D+01 -0.993864D+00 -0.107843D+01
      2  -0.201172D+01  0.962956D+00  0.668789D+00 -0.107843D+01  0.422243D+00
      3   0.565682D+01  0.668789D+00  0.651889D+01  0.140573D+01  0.148537D+01
                66            67            68            69            70 
      1   0.140573D+01  0.173181D+01  0.102906D+01  0.226954D+00 -0.162202D-01
      2   0.148537D+01  0.102906D+01 -0.114714D+01  0.922207D+00 -0.835044D+00
      3   0.659606D+00  0.226954D+00  0.922207D+00  0.423299D+01  0.215120D+01
                71            72            73            74            75 
      1  -0.835044D+00  0.215120D+01 -0.521538D+01  0.940842D+00 -0.328372D-01
      2   0.464153D+01  0.289066D+01  0.940842D+00 -0.182301D+01  0.320068D+01
      3   0.289066D+01  0.797641D+01 -0.328372D-01  0.320068D+01  0.795622D-01
                76            77            78            79            80 
      1   0.160760D+01  0.519667D+00 -0.221631D+00  0.598206D+00  0.230744D+01
      2   0.519667D+00  0.119716D+02  0.162598D+01  0.230744D+01  0.103852D+01
      3  -0.221631D+00  0.162598D+01  0.195963D+01 -0.797130D+00  0.186371D+00
                81            82            83            84            85 
      1  -0.797130D+00  0.497409D+00 -0.292382D+01 -0.193676D+01 -0.119578D+01
      2   0.186371D+00 -0.292382D+01 -0.476065D+01 -0.661933D+00 -0.305870D+01
      3  -0.216175D+01 -0.193676D+01 -0.661933D+00  0.174782D+01  0.227503D+00
                86            87            88            89            90 
      1  -0.305870D+01  0.227503D+00 -0.128969D+01  0.178398D-01  0.256084D+01
      2  -0.782818D+01 -0.133932D+01  0.178398D-01  0.919707D+00 -0.116459D+01
      3  -0.133932D+01 -0.107150D+00  0.256084D+01 -0.116459D+01  0.484234D+00
                91            92            93            94            95 
      1  -0.807083D+00 -0.280340D+01  0.195518D+01 -0.936339D+00  0.291045D+01
      2  -0.280340D+01  0.468539D+01 -0.792493D+00  0.291045D+01 -0.777273D+01
      3   0.195518D+01 -0.792493D+00 -0.175826D+01  0.425277D-01  0.150024D+01
                96            97            98            99           100 
      1   0.425277D-01  0.103250D+01 -0.161634D+00 -0.257496D+01  0.631086D+01
      2   0.150024D+01 -0.161634D+00 -0.815476D+00 -0.118521D+01  0.508039D+00
      3  -0.100863D+00 -0.257496D+01 -0.118521D+01 -0.464723D+00 -0.138723D-01
               101           102           103           104           105 
      1   0.508039D+00 -0.138723D-01  0.104695D+01  0.762504D-01 -0.269160D+00
      2   0.207941D+01  0.277262D+01  0.762504D-01  0.116145D+02 -0.161868D+01
      3   0.277262D+01 -0.301923D+00 -0.269160D+00 -0.161868D+01  0.180378D+01
               106           107           108           109           110 
      1   0.118658D+00  0.236492D+01  0.991815D+00 -0.910349D+01  0.387607D+01
      2   0.236492D+01 -0.109415D+01  0.542314D+00  0.387607D+01 -0.629936D+01
      3   0.991815D+00  0.542314D+00  0.225146D+01 -0.258344D+00 -0.143279D+01
               111           112           113           114           115 
      1  -0.258344D+00  0.993272D+01 -0.385170D+01 -0.195048D+01  0.659365D+01
      2  -0.143279D+01 -0.385170D+01  0.674296D+00 -0.125172D+00 -0.663743D+00
      3  -0.757119D+00 -0.195048D+01 -0.125172D+00  0.188272D+01 -0.287835D+01
               116           117           118           119           120 
      1  -0.663743D+00 -0.287835D+01 -0.150352D+02 -0.269289D+01 -0.498800D+01
      2   0.266258D+01  0.121429D+01 -0.269289D+01 -0.283601D+01 -0.117586D+01
      3   0.121429D+01  0.143244D+01 -0.498800D+01 -0.117586D+01 -0.319716D+01
               121           122           123           124           125 
      1  -0.845993D+01 -0.380628D+00  0.325346D+01 -0.420278D+01  0.251541D+01
      2  -0.380628D+00 -0.417525D+00  0.316598D+00  0.251541D+01  0.239908D+01
      3   0.325346D+01  0.316598D+00 -0.836147D+00  0.147385D+01 -0.318652D+00
               126           127           128           129           130 
      1   0.147385D+01 -0.156443D+01  0.197429D+01  0.560807D+00 -0.771299D+00
      2  -0.318652D+00  0.197429D+01  0.268965D+01  0.388576D+00  0.900803D+00
      3  -0.878168D+00  0.560807D+00  0.388576D+00 -0.416826D+01  0.144382D+01
               131           132           133           134           135 
      1   0.900803D+00  0.144382D+01 -0.473889D+01 -0.203935D+01 -0.556846D+01
      2   0.808212D+00  0.351555D+00 -0.203935D+01 -0.688896D+00  0.673379D+00
      3   0.351555D+00 -0.905005D+00 -0.556846D+01  0.673379D+00 -0.699927D+01
               136           137           138           139           140 
      1   0.728311D+00 -0.115318D+01 -0.127880D+01  0.162814D+01 -0.136567D+01
      2  -0.115318D+01 -0.560360D-01  0.130520D+01 -0.136567D+01 -0.118590D+01
      3  -0.127880D+01  0.130520D+01 -0.369876D+00 -0.469254D-01 -0.133868D+01
               141           142           143           144           145 
      1  -0.469254D-01  0.422477D-01 -0.128845D+01 -0.185938D+01  0.437233D+01
      2  -0.133868D+01 -0.128845D+01 -0.447268D+01  0.267884D+01 -0.236953D+01
      3   0.399573D+01 -0.185938D+01  0.267884D+01 -0.803192D+01 -0.808765D+00
               146           147           148           149           150 
      1  -0.236953D+01 -0.808765D+00 -0.487643D+01  0.634405D+01 -0.110284D+01
      2   0.353686D+01 -0.154577D+01  0.634405D+01 -0.555374D+01 -0.345887D+00
      3  -0.154577D+01 -0.119333D+01 -0.110284D+01 -0.345887D+00 -0.133931D+01
               151           152           153           154           155 
      1  -0.156537D+01 -0.288817D+01 -0.570658D+00  0.115079D+01 -0.272369D+01
      2  -0.288817D+01  0.181795D+00 -0.211458D+01 -0.272369D+01 -0.404661D+00
      3  -0.570658D+00 -0.211458D+01 -0.165351D+01 -0.256906D+01  0.356858D+01
               156           157           158           159           160 
      1  -0.256906D+01 -0.457027D+01 -0.378095D+00  0.454893D+01 -0.252096D+01
      2   0.356858D+01 -0.378095D+00  0.633858D+00 -0.161418D+01  0.427017D+01
      3   0.188819D+01  0.454893D+01 -0.161418D+01  0.522957D+00  0.198893D+01
               161           162           163           164           165 
      1   0.427017D+01  0.198893D+01  0.496199D+01  0.315164D+01  0.611462D+00
      2  -0.158643D+01  0.983959D+00  0.315164D+01  0.156272D+01 -0.303481D+01
      3   0.983959D+00 -0.152267D+01  0.611462D+00 -0.303481D+01 -0.451417D+00
               166           167           168           169           170 
      1   0.534683D+01  0.291431D+01 -0.448388D+01  0.679249D+00 -0.465388D+01
      2   0.291431D+01 -0.448872D+00  0.949834D+00 -0.465388D+01  0.709510D+00
      3  -0.448388D+01  0.949834D+00 -0.178914D+01  0.376783D+00 -0.206933D+01
               171           172           173           174           175 
      1   0.376783D+00  0.349011D+01  0.228217D+00  0.614557D+00  0.246560D+01
      2  -0.206933D+01  0.228217D+00  0.459862D+00  0.248941D+01  0.227470D+01
      3   0.579929D+00  0.614557D+00  0.248941D+01  0.193100D+01  0.290546D+01
               176           177           178           179           180 
      1   0.227470D+01  0.290546D+01 -0.112671D+00  0.248049D+01  0.332101D+01
      2   0.323171D+01 -0.429415D+00  0.248049D+01 -0.849912D+00  0.313960D+01
      3  -0.429415D+00  0.224218D+01  0.332101D+01  0.313960D+01  0.284071D+01
               181           182           183           184           185 
      1   0.232838D-01 -0.478342D+01  0.382913D-01  0.127799D+00 -0.359537D+00
      2  -0.478342D+01 -0.183099D+00 -0.140764D+01 -0.359537D+00 -0.924157D+01
      3   0.382913D-01 -0.140764D+01  0.220454D+00 -0.496408D+00  0.440471D+00
               186           187           188           189           190 
      1  -0.496408D+00 -0.292700D+00 -0.198419D+01  0.296607D+00  0.851879D+01
      2   0.440471D+00 -0.198419D+01  0.907186D-01 -0.358659D+01 -0.151733D+01
      3  -0.206086D+01  0.296607D+00 -0.358659D+01  0.157724D+00  0.225060D+00
               191           192           193           194           195 
      1  -0.151733D+01  0.225060D+00 -0.465416D+01  0.127897D+01 -0.945200D+00
      2   0.544413D+00  0.548060D+00  0.127897D+01 -0.996920D+01 -0.226022D+01
      3   0.548060D+00  0.142652D+01 -0.945200D+00 -0.226022D+01 -0.275678D+01
               196           197           198           199           200 
      1  -0.351522D+01  0.698994D+00 -0.128973D-01 -0.900206D+01 -0.813098D+00
      2   0.698994D+00 -0.155378D+01 -0.286951D+01 -0.813098D+00 -0.894966D+00
      3  -0.128973D-01 -0.286951D+01 -0.637284D+01 -0.127792D+00  0.434322D+00
               201           202           203           204           205 
      1  -0.127792D+00 -0.330885D+01 -0.147121D+01 -0.767542D+00  0.405666D+01
      2   0.434322D+00 -0.147121D+01 -0.883756D+01  0.236891D+01  0.591461D+00
      3  -0.185313D+01 -0.767542D+00  0.236891D+01 -0.225746D+01 -0.358817D+00
               206           207           208           209           210 
      1   0.591461D+00 -0.358817D+00 -0.217830D+01  0.925491D+00  0.246838D+01
      2   0.209600D+01 -0.265208D+01  0.925491D+00 -0.803631D+00 -0.129730D+01
      3  -0.265208D+01  0.740374D+01  0.246838D+01 -0.129730D+01 -0.408336D+01
               211           212           213           214           215 
      1   0.833536D+00 -0.575807D+00 -0.632841D+00  0.217479D+01 -0.407809D+00
      2  -0.575807D+00  0.559113D+00  0.479721D+00 -0.407809D+00  0.657733D+00
      3  -0.632841D+00  0.479721D+00 -0.750943D-01 -0.234080D+01  0.226483D+00
               216           217           218           219           220 
      1  -0.234080D+01  0.266288D+00 -0.383969D+00  0.373322D-01 -0.106156D+01
      2   0.226483D+00 -0.383969D+00  0.273247D+00  0.467976D-02  0.852681D+00
      3   0.385563D+01  0.373322D-01  0.467976D-02 -0.842089D+00 -0.113053D+01
               221           222           223           224           225 
      1   0.852681D+00 -0.113053D+01  0.538302D+00 -0.208394D+00 -0.207448D-01
      2  -0.328837D+01  0.330858D+01 -0.208394D+00  0.223540D+01 -0.265032D+01
      3   0.330858D+01 -0.431578D+01 -0.207448D-01 -0.265032D+01  0.423605D+01
               226           227           228           229           230 
      1  -0.138671D+01 -0.552424D+00 -0.960264D+00 -0.149015D+01 -0.731989D-01
      2  -0.552424D+00 -0.396090D+00  0.149894D+00 -0.731989D-01  0.893333D+00
      3  -0.960264D+00  0.149894D+00 -0.920975D+00 -0.658409D-01 -0.752288D+00
               231           232           233           234           235 
      1  -0.658409D-01 -0.340099D+01 -0.467390D+00  0.718922D+00  0.737721D+00
      2  -0.752288D+00 -0.467390D+00 -0.110339D+01  0.108084D+01  0.925717D+00
      3  -0.579299D+00  0.718922D+00  0.108084D+01 -0.557200D+01  0.240560D-01
               236           237           238           239           240 
      1   0.925717D+00  0.240560D-01  0.278159D+01  0.190911D+01 -0.696741D+00
      2   0.853042D+00 -0.106280D+00  0.190911D+01  0.902723D+01 -0.123081D+01
      3  -0.106280D+00 -0.229804D+00 -0.696741D+00 -0.123081D+01  0.776224D+00
               241           242           243           244           245 
      1   0.179815D+00 -0.331020D-02  0.139959D+00  0.606946D+01  0.213812D+01
      2  -0.331020D-02  0.318980D-01  0.957474D+00  0.213812D+01  0.124765D+01
      3   0.139959D+00  0.957474D+00 -0.457451D+00 -0.351885D+01 -0.109769D+01
               246           247           248           249           250 
      1  -0.351885D+01  0.255463D+01  0.194112D+01 -0.124492D+01 -0.594778D+01
      2  -0.109769D+01  0.194112D+01  0.122189D+01 -0.144376D+01 -0.184887D+01
      3   0.257484D+01 -0.124492D+01 -0.144376D+01  0.142460D+01  0.510520D+01
               251           252           253           254           255 
      1  -0.184887D+01  0.510520D+01  0.430061D+01  0.206212D+01  0.187337D+01
      2  -0.169921D+01  0.230100D+01  0.206212D+01  0.123036D+01  0.663487D+00
      3   0.230100D+01 -0.497243D+01  0.187337D+01  0.663487D+00  0.154125D+01
               256           257           258           259           260 
      1   0.285058D+01  0.185001D+01  0.840015D+00  0.422218D+01  0.156685D+01
      2   0.185001D+01  0.156803D+01  0.115767D+01  0.156685D+01  0.189544D+01
      3   0.840015D+00  0.115767D+01  0.118590D+01  0.306902D+01  0.176017D+01
               261           262           263           264           265 
      1   0.306902D+01 -0.211681D+01 -0.133822D+01 -0.103166D+01 -0.177578D+01
      2   0.176017D+01 -0.133822D+01 -0.466474D+00 -0.242512D+00 -0.167905D+00
      3   0.301482D+01 -0.103166D+01 -0.242512D+00 -0.121150D+01 -0.795755D-01
               266           267           268           269           270 
      1  -0.167905D+00 -0.795755D-01 -0.141374D+01 -0.198245D+00 -0.428956D+00
      2  -0.868114D+00 -0.951085D+00 -0.198245D+00 -0.164896D+01 -0.155981D+01
      3  -0.951085D+00 -0.119587D+01 -0.428956D+00 -0.155981D+01 -0.365955D+01
               271           272           273           274           275 
      1   0.134484D+02 -0.430291D+01 -0.165177D+01 -0.418153D+01  0.304505D+01
      2  -0.430291D+01  0.242173D+01  0.361827D+00  0.304505D+01 -0.187441D+01
      3  -0.165177D+01  0.361827D+00  0.755481D+00  0.591271D+00 -0.400613D+00
               276           277           278           279           280 
      1   0.591271D+00 -0.522803D+00  0.289535D+00  0.130724D+01  0.841443D+01
      2  -0.400613D+00  0.289535D+00 -0.168914D+00 -0.807602D+00 -0.133591D+01
      3  -0.593172D+00  0.130724D+01 -0.807602D+00 -0.363965D+00  0.398012D+01
               281           282           283           284           285 
      1  -0.133591D+01  0.398012D+01  0.356796D+00  0.137191D+01 -0.663772D-01
      2   0.706088D+00 -0.865199D+00  0.137191D+01 -0.903801D+00  0.858802D+00
      3  -0.865199D+00  0.311712D+01 -0.663772D-01  0.858802D+00  0.330345D+00
               286           287           288           289           290 
      1   0.714363D+01 -0.179016D+01  0.493332D+01 -0.412393D+00 -0.105365D+01
      2  -0.179016D+01  0.107677D+01 -0.106941D+01 -0.105365D+01 -0.578736D+00
      3   0.493332D+01 -0.106941D+01  0.519724D+01  0.559827D-01  0.626643D-01
               291           292           293           294           295 
      1   0.559827D-01 -0.277245D+01  0.189546D+01 -0.124076D+00  0.355021D+00
      2   0.626643D-01  0.189546D+01 -0.760235D+01  0.896494D+00 -0.305074D+00
      3   0.551793D-01 -0.124076D+00  0.896494D+00 -0.898859D+00  0.780204D+00
               296           297           298           299           300 
      1  -0.305074D+00  0.780204D+00  0.273599D+01  0.339409D+01  0.101460D+01
      2   0.141076D+00 -0.796430D+00  0.339409D+01  0.622742D+01  0.114542D+01
      3  -0.796430D+00  0.405235D+00  0.101460D+01  0.114542D+01  0.587631D+00
               301           302           303           304           305 
      1   0.228513D+01  0.316816D+01  0.700995D+00  0.518766D+00  0.687566D+00
      2   0.316816D+01  0.108863D+02  0.167322D+01  0.687566D+00  0.911411D+00
      3   0.700995D+00  0.167322D+01  0.106526D+01  0.444544D+00  0.183639D+01
               306           307           308           309           310 
      1   0.444544D+00 -0.312593D+01  0.151465D+01  0.162009D+01  0.678210D+00
      2   0.183639D+01  0.151465D+01 -0.132835D+01 -0.102412D+01 -0.762207D+00
      3   0.680378D+00  0.162009D+01 -0.102412D+01 -0.175294D+01 -0.506715D+00
               311           312           313           314           315 
      1  -0.762207D+00 -0.506715D+00  0.170465D+01 -0.103654D+01 -0.165469D+01
      2   0.183187D+01  0.122882D+01 -0.103654D+01  0.215502D+01  0.155177D+01
      3   0.122882D+01  0.871223D+00 -0.165469D+01  0.155177D+01  0.274812D+01
               316           317           318           319           320 
      1   0.334758D+01  0.139600D+01 -0.166660D+01  0.392809D+00  0.726298D+00
      2   0.139600D+01  0.126544D+01 -0.101548D+01  0.726298D+00  0.162351D+01
      3  -0.166660D+01 -0.101548D+01  0.184616D+01 -0.451639D+00 -0.115836D+01
               321           322           323           324           325 
      1  -0.451639D+00 -0.159009D+01 -0.106383D+01  0.163610D+01 -0.259090D+01
      2  -0.115836D+01 -0.106383D+01 -0.202690D+01  0.152141D+01  0.321447D+01
      3   0.794173D+00  0.163610D+01  0.152141D+01 -0.278342D+01 -0.102583D+01
               326           327           328           329           330 
      1   0.321447D+01 -0.102583D+01  0.208637D+01 -0.297113D+01  0.745273D+00
      2  -0.618522D+01  0.123916D+01 -0.297113D+01  0.108577D+02 -0.181928D+01
      3   0.123916D+01 -0.618130D+00  0.745273D+00 -0.181928D+01  0.112938D+01
               331           332           333           334           335 
      1  -0.521038D+00  0.731549D+00 -0.426857D+00  0.284432D+01  0.993029D+00
      2   0.731549D+00 -0.109486D+01  0.187217D+01  0.993029D+00  0.773339D+00
      3  -0.426857D+00  0.187217D+01 -0.765302D+00 -0.254439D+01 -0.116490D+01
               336           337           338           339           340 
      1  -0.254439D+01  0.916083D+00  0.565133D+00 -0.502590D+00 -0.228549D+01
      2  -0.116490D+01  0.565133D+00  0.567687D+00 -0.431899D+00 -0.334163D+00
      3   0.399792D+01 -0.502590D+00 -0.431899D+00 -0.278221D+00  0.228907D+01
               341           342           343           344           345 
      1  -0.334163D+00  0.228907D+01 -0.257742D+00 -0.464367D+00 -0.206447D+00
      2  -0.660823D+00  0.872637D-01 -0.464367D+00 -0.280539D+00 -0.157671D-01
      3   0.872637D-01 -0.355905D+01 -0.206447D+00 -0.157671D-01  0.857489D+00
               346           347           348           349           350 
      1  -0.107763D+01 -0.734584D+00 -0.103116D+01 -0.533178D+00 -0.187342D+00
      2  -0.734584D+00 -0.327885D+01 -0.329493D+01 -0.187342D+00 -0.232860D+01
      3  -0.103116D+01 -0.329493D+01 -0.432916D+01  0.966001D-01 -0.266249D+01
               351           352           353           354           355 
      1   0.966001D-01 -0.486195D+01  0.296513D+01  0.406769D-01  0.517131D+01
      2  -0.266249D+01  0.296513D+01 -0.326266D+01  0.345605D+00 -0.507212D+01
      3  -0.407014D+01  0.406769D-01  0.345605D+00 -0.243369D+00 -0.279987D+00
               356           357           358           359           360 
      1  -0.507212D+01 -0.279987D+00 -0.212188D+01  0.180477D+01 -0.476873D+00
      2   0.790657D+01 -0.173672D+00  0.180477D+01 -0.215136D+01  0.128495D+01
      3  -0.173672D+00  0.981068D+00 -0.476873D+00  0.128495D+01 -0.651859D+00
               361           362           363           364           365 
      1   0.233738D+01  0.670804D+00  0.889950D+00  0.136916D+01 -0.337190D+00
      2   0.670804D+00  0.551315D+00  0.770333D+00 -0.337190D+00  0.226586D+01
      3   0.889950D+00  0.770333D+00  0.103583D+01  0.128677D+00  0.137821D+01
               366           367           368           369           370 
      1   0.128677D+00  0.207939D+01  0.805305D+00  0.149981D+00 -0.810723D+01
      2   0.137821D+01  0.805305D+00  0.168732D+01  0.233929D+01  0.260097D+01
      3   0.124929D+01  0.149981D+00  0.233929D+01  0.378831D+01  0.405393D+01
               371           372           373           374           375 
      1   0.260097D+01  0.405393D+01  0.380859D+01 -0.230265D+01 -0.231849D+01
      2  -0.146106D+01 -0.177610D+01 -0.230265D+01  0.209771D+01  0.184309D+01
      3  -0.177610D+01 -0.294093D+01 -0.231849D+01  0.184309D+01  0.171652D+01
               376           377           378           379           380 
      1   0.387512D+01 -0.163509D+01 -0.373094D+01  0.212186D+01 -0.941350D+00
      2  -0.163509D+01  0.119278D+01  0.150433D+01 -0.941350D+00  0.819127D+00
      3  -0.373094D+01  0.150433D+01  0.370472D+01  0.997656D+00 -0.575711D+00
               381           382           383           384           385 
      1   0.997656D+00 -0.156797D+01  0.613437D+00 -0.647095D+00  0.141766D+01
      2  -0.575711D+00  0.613437D+00 -0.212204D+01  0.142738D+01 -0.438977D+00
      3   0.433449D+00 -0.647095D+00  0.142738D+01 -0.188687D+01 -0.256781D+00
               386           387           388           389           390 
      1  -0.438977D+00 -0.256781D+00 -0.110218D+02 -0.384325D+01  0.134614D+01
      2   0.138319D+01 -0.138912D+01 -0.384325D+01 -0.204805D+01  0.622926D+00
      3  -0.138912D+01  0.333582D+01  0.134614D+01  0.622926D+00 -0.847770D+00
               391           392           393           394           395 
      1  -0.609589D+01 -0.359190D+01  0.113933D+01  0.305915D+01  0.150759D+01
      2  -0.359190D+01 -0.271068D+01  0.342473D+00  0.150759D+01  0.598747D+00
      3   0.113933D+01  0.342473D+00 -0.471886D+00 -0.181200D+01 -0.490960D+00
               396           397           398           399           400 
      1  -0.181200D+01 -0.450381D+01  0.136877D+01 -0.190780D+01  0.315519D+01
      2  -0.490960D+00  0.136877D+01 -0.108478D+01  0.843362D+00 -0.250064D+01
      3   0.849475D+00 -0.190780D+01  0.843362D+00 -0.112696D+01  0.196867D+01
               401           402           403           404           405 
      1  -0.250064D+01  0.196867D+01 -0.368037D+01  0.169454D+01 -0.235300D+01
      2   0.259829D+01 -0.147836D+01  0.169454D+01 -0.138376D+01  0.150470D+01
      3  -0.147836D+01  0.190227D+01 -0.235300D+01  0.150470D+01 -0.297323D+01
               406           407           408           409           410 
      1   0.415786D+00 -0.100906D+01  0.106385D+01 -0.309646D+01 -0.179650D+01
      2  -0.100906D+01 -0.180375D-01 -0.144424D+00 -0.179650D+01 -0.498359D+01
      3   0.106385D+01 -0.144424D+00  0.126969D+00 -0.376015D+00  0.695123D+00
               411           412           413           414           415 
      1  -0.376015D+00  0.287737D+01 -0.646075D-01 -0.265397D+00 -0.356121D+01
      2   0.695123D+00 -0.646075D-01  0.149736D+01 -0.121692D+01 -0.146489D+01
      3  -0.939679D+00 -0.265397D+00 -0.121692D+01  0.569800D+00 -0.238432D+01
               416           417           418           419           420 
      1  -0.146489D+01 -0.238432D+01 -0.208801D+01 -0.208252D+01 -0.157593D+01
      2  -0.110533D+01 -0.142401D+01 -0.208252D+01 -0.256730D+01 -0.191596D+01
      3  -0.142401D+01 -0.195679D+01 -0.157593D+01 -0.191596D+01 -0.191044D+01
               421           422           423 
      1  -0.475067D+01 -0.245240D+01 -0.384820D+01
      2  -0.245240D+01 -0.235000D+01 -0.324275D+01
      3  -0.384820D+01 -0.324275D+01 -0.592518D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.739051D+01  0.339472D+00 -0.389845D+01  0.308377D+01  0.751213D+01
      2   0.141212D+01  0.280328D+01  0.116521D+02  0.902220D+01  0.478757D+01
      3  -0.182183D+02  0.397051D+01  0.276103D+01  0.159188D+02  0.221689D+02
                 6             7             8             9            10 
      1  -0.546788D+01  0.208327D+01  0.636088D+01 -0.126921D+02  0.462568D+01
      2   0.454523D+01 -0.908555D+01 -0.310355D+01  0.243014D+02 -0.186571D+02
      3  -0.232231D+01  0.132464D+01  0.123485D+01  0.142000D+01  0.702425D+01
                11            12            13            14            15 
      1   0.152357D+02 -0.109502D+01  0.242780D+02 -0.392290D+01 -0.410581D+01
      2  -0.133847D+02  0.274101D+01 -0.363951D+02 -0.561719D+01  0.106790D+02
      3  -0.126614D+02  0.608667D+01  0.562291D+01  0.820659D+01 -0.103316D+02
                16            17            18            19            20 
      1   0.204697D+01 -0.791212D+01  0.100769D+02 -0.696083D+01  0.109531D+02
      2   0.763614D+01  0.129864D+01 -0.178622D+02 -0.270432D+02  0.127156D+01
      3  -0.388259D+01  0.546515D+01  0.222437D+01  0.157024D+02 -0.103735D+02
                21            22            23            24            25 
      1  -0.605325D+01 -0.835023D+00 -0.746846D+00 -0.112484D+01  0.376885D+01
      2  -0.564291D+01  0.278142D+02 -0.106188D+02 -0.142483D+02 -0.318940D+02
      3   0.584278D+01 -0.879218D+00  0.190490D+01  0.115199D+02  0.479554D+01
                26            27            28            29            30 
      1  -0.635894D+01 -0.309215D+01 -0.156263D+01  0.286340D+01 -0.352481D+01
      2  -0.567947D+01  0.575027D+01 -0.734592D+00  0.160139D+01 -0.661468D+01
      3   0.148880D+02 -0.301970D+01  0.386111D+01 -0.625924D+01 -0.280159D+00
                31            32            33            34            35 
      1   0.531682D+00  0.101719D+02 -0.561788D+01 -0.908278D+01  0.145308D+01
      2  -0.305317D+01  0.440471D+01 -0.568572D+01 -0.188208D+02 -0.316114D+01
      3   0.135516D+02 -0.288786D+02 -0.696725D+00  0.510063D+00 -0.632610D+01
                36            37            38            39            40 
      1  -0.680191D+00 -0.385967D+01  0.395565D+00  0.257576D+01  0.536891D+00
      2   0.566360D+00 -0.237948D+01  0.320098D+01  0.190517D+02  0.221853D+01
      3   0.902355D+01 -0.212931D+02 -0.236860D+01 -0.136839D-01  0.151009D+01
                41            42            43            44            45 
      1   0.259311D+01 -0.135723D+01  0.342764D+01  0.354898D+01 -0.233603D+01
      2   0.527984D+01  0.112017D+02  0.197771D+02  0.120449D+02  0.597323D+01
      3   0.155787D+02 -0.560317D+01 -0.153275D+01 -0.504018D+01 -0.142721D+02
                46            47            48            49            50 
      1   0.497578D+01 -0.292973D+00  0.392312D+01 -0.192678D+01 -0.358330D+01
      2   0.613740D+01 -0.138843D+01 -0.195408D+02 -0.199164D+01 -0.428036D+01
      3   0.259220D+02 -0.424997D+01 -0.168548D+01 -0.978012D+00 -0.164252D+02
                51            52            53            54            55 
      1   0.264344D+01  0.725937D+01  0.756737D+01  0.136428D+01  0.129728D+01
      2  -0.130950D+02 -0.401122D+02 -0.173540D+02  0.689022D-01 -0.849761D+01
      3   0.448350D+01  0.442733D+00  0.339736D+01  0.894134D+01  0.168851D+02
                56            57            58            59            60 
      1  -0.108659D+02  0.722334D+00 -0.977847D+01 -0.400821D+01 -0.380761D+01
      2  -0.298156D+01  0.157843D+02  0.158894D+02  0.531038D+01 -0.409355D+01
      3   0.611306D+01 -0.146550D+01  0.263817D+01  0.226270D+01  0.257925D+01
                61            62            63            64            65 
      1  -0.125391D+02  0.852178D+01 -0.465341D+01 -0.766242D+01 -0.515704D+01
      2   0.589659D+01  0.548195D+01  0.644602D+01  0.215983D+02  0.702161D+01
      3   0.235827D+01 -0.581797D+01  0.579381D+01 -0.127994D+02 -0.180426D+01
                66            67            68            69            70 
      1  -0.749288D+00  0.580522D+01 -0.100842D+02  0.290621D+01 -0.738618D+01
      2   0.453290D+01  0.575531D+00  0.416777D+01  0.712422D+01  0.125647D+01
      3  -0.826634D+00  0.218895D+00  0.604205D+01 -0.102764D+02  0.148619D+00
                71            72            73            74            75 
      1   0.105244D+02 -0.697955D+01  0.199433D+02 -0.126661D+02  0.105210D+02
      2   0.790493D+01  0.101464D+02  0.519778D-02 -0.270758D+01  0.188207D+01
      3  -0.628131D+01 -0.175089D+01 -0.201383D+02  0.245293D+01 -0.784525D+01
                76            77            78            79            80 
      1   0.610814D+01  0.386502D+02  0.286267D+01  0.101580D+02  0.715779D+01
      2  -0.826220D+01  0.556907D+01  0.541307D+01  0.380494D+01  0.506683D+01
      3  -0.285330D-01 -0.314712D+02 -0.563367D+01 -0.130013D+02  0.211643D+01
                81            82            83            84            85 
      1   0.131781D+02  0.274823D+01 -0.112339D+01 -0.127135D+02 -0.788958D+01
      2  -0.121811D+01 -0.274194D+01  0.414953D+01  0.610194D+01  0.162885D+01
      3  -0.131373D+02  0.685552D+01 -0.172529D+02 -0.742855D+01 -0.591448D+00
                86            87            88            89            90 
      1  -0.117370D+02 -0.455155D+01 -0.153953D+02  0.730828D+01 -0.103971D+02
      2  -0.521120D+00  0.507932D+00  0.103672D+01  0.114103D+01 -0.313236D+01
      3  -0.502296D+01  0.367382D+01 -0.686969D+01  0.579329D+00  0.150080D+02
                91            92            93            94            95 
      1  -0.277517D+01 -0.309707D+00  0.128582D+02 -0.717067D+01  0.110824D+02
      2  -0.222027D+01 -0.435814D+01  0.554504D+01 -0.560329D+00 -0.762981D+00
      3  -0.755798D+01 -0.174174D+02  0.791687D+01 -0.245901D+00  0.542715D+01
                96            97            98            99           100 
      1  -0.474802D+01  0.160171D+02  0.752423D+01  0.105522D+02 -0.204226D+02
      2  -0.658537D+00  0.177137D-01 -0.171313D+01 -0.322465D+01  0.471849D+01
      3   0.272464D+01  0.590159D+01  0.321858D+00 -0.149305D+02  0.219330D+02
               101           102           103           104           105 
      1  -0.108494D+02 -0.103372D+02  0.471828D+01 -0.376978D+02  0.389938D+01
      2   0.454372D+01  0.192863D+01  0.675808D+01  0.689791D+01 -0.464019D+01
      3   0.194004D+01  0.621139D+01  0.473177D+00  0.310294D+02 -0.536018D+01
               106           107           108           109           110 
      1  -0.102136D+02  0.510488D+01 -0.148965D+02 -0.974348D+00  0.138624D+02
      2   0.487056D+01 -0.546833D+01  0.964672D+00 -0.185638D+02  0.108828D+02
      3   0.138996D+02  0.287375D+01  0.145040D+02 -0.711313D+01 -0.152074D+02
               111           112           113           114           115 
      1  -0.286249D+00  0.251457D+02  0.117152D+01 -0.298316D+01 -0.413145D+01
      2  -0.752381D+00  0.311694D+02 -0.948569D+01 -0.955750D+01  0.657044D+01
      3  -0.565156D+01  0.205990D+01 -0.998227D+01 -0.711188D+01  0.774914D+00
               116           117           118           119           120 
      1  -0.760578D+01 -0.101889D+02  0.992683D+01  0.111021D+02  0.549110D+01
      2  -0.104664D+01 -0.172822D+02 -0.297011D+02 -0.439731D+01 -0.527526D+01
      3   0.516912D+01 -0.171594D+01 -0.143919D+02 -0.117650D+02 -0.511700D+01
               121           122           123           124           125 
      1  -0.262743D+01  0.192234D+01 -0.246029D+01 -0.552937D+01 -0.654253D+01
      2  -0.262160D+02 -0.800669D+01  0.173381D+02 -0.308364D+02  0.716379D+01
      3   0.182262D+01  0.760715D+00  0.109498D+02 -0.236346D+01  0.145579D+02
               126           127           128           129           130 
      1   0.483593D+01 -0.507614D+01 -0.116263D+02 -0.511723D-01 -0.108492D+02
      2   0.800111D+01 -0.100562D+02  0.478616D+01  0.180675D+02 -0.142332D+02
      3   0.164681D+01 -0.131443D+02  0.715699D+01  0.133732D+01  0.399901D+01
               131           132           133           134           135 
      1   0.348647D+01 -0.434586D+01  0.143539D+02  0.786499D+01  0.535632D+01
      2   0.527414D+01  0.361381D+01  0.354167D+01 -0.639287D+01  0.695357D+01
      3  -0.190349D+01  0.197024D+01 -0.391823D+01 -0.525664D+01 -0.519966D+01
               136           137           138           139           140 
      1   0.836031D+01 -0.546201D+01  0.111100D+01  0.695491D+01  0.120281D+02
      2   0.226633D+02 -0.747614D+01  0.439748D+01 -0.170212D+01  0.443306D+01
      3   0.116819D+02 -0.202423D+01  0.747124D+00 -0.861836D+00 -0.760439D+01
               141           142           143           144           145 
      1   0.350307D+01  0.817235D+01  0.110938D+02  0.776222D+01  0.466496D+01
      2  -0.971942D+01  0.258303D+01 -0.855895D+01  0.105129D+02  0.467369D+01
      3  -0.100970D+02 -0.870829D-01 -0.635432D+01  0.134109D+01  0.220274D+01
               146           147           148           149           150 
      1   0.565924D+01  0.225561D+01  0.681628D+01 -0.310382D+00  0.132572D+00
      2   0.561589D+01  0.996202D+01 -0.292727D+01  0.220564D+01  0.794432D+01
      3   0.398113D+01 -0.108342D+02  0.166189D+02 -0.661571D+01 -0.442375D+01
               151           152           153           154           155 
      1  -0.306435D+01  0.102385D+02  0.594177D+01 -0.420540D+01 -0.314549D+01
      2  -0.317122D+01  0.157715D+02  0.157956D+02  0.974004D+01 -0.141951D+02
      3  -0.120897D+02 -0.599700D+01 -0.116939D+02 -0.164538D+02 -0.681852D+01
               156           157           158           159           160 
      1   0.503099D+01 -0.572504D+01  0.151442D+01 -0.548677D+01  0.732333D+01
      2  -0.293012D+01 -0.190409D+02  0.832280D+01 -0.116204D+02 -0.855302D+01
      3   0.180507D+02 -0.503401D+01  0.433039D+01 -0.378139D+01  0.224590D+02
               161           162           163           164           165 
      1  -0.108205D+00  0.282987D+01  0.719073D+00 -0.147432D+01 -0.160898D+01
      2  -0.130197D+02  0.472829D+01 -0.276409D+01  0.193582D+02  0.493255D+01
      3  -0.363710D+01  0.847080D+01  0.185522D+02  0.590372D+01 -0.183699D+02
               166           167           168           169           170 
      1  -0.210187D+01 -0.103564D+01 -0.320734D+01 -0.326940D+01  0.102445D+00
      2   0.300453D+02 -0.379484D+01  0.102424D+02 -0.344238D+01  0.110229D+02
      3   0.186586D+02 -0.376642D+01  0.609368D+01 -0.293984D+02  0.400831D+01
               171           172           173           174           175 
      1  -0.469857D+00 -0.101266D+01  0.348380D+01  0.834763D+00  0.256607D+01
      2  -0.237882D+01  0.548849D+01 -0.984064D+01 -0.543924D+01 -0.733495D+01
      3  -0.115164D+02 -0.201799D+01 -0.118890D+00  0.100862D+02  0.139579D+02
               176           177           178           179           180 
      1  -0.945630D+01  0.206453D+01  0.601346D+01  0.121354D+02  0.253493D+01
      2   0.122459D+02 -0.729104D+01 -0.212490D+02 -0.139501D+02 -0.559653D+01
      3   0.147631D+02 -0.103073D+02  0.120917D+02 -0.986670D+01  0.110332D+02
               181           182           183           184           185 
      1  -0.748625D-01  0.129253D+02  0.993937D+00 -0.254460D+02 -0.119476D+01
      2   0.469738D+02  0.921759D+00  0.288789D+02  0.309800D+01 -0.187853D+01
      3  -0.269861D+01 -0.178187D+02  0.616621D+00  0.671294D+02 -0.111231D+01
               186           187           188           189           190 
      1  -0.443035D+02 -0.554760D+00  0.228628D+02 -0.187065D+01  0.442687D+01
      2   0.780642D-01 -0.503120D+02  0.192933D+01 -0.232596D+02  0.292112D+01
      3   0.869128D+01 -0.138612D+01 -0.169625D+02 -0.832164D+00 -0.102701D+02
               191           192           193           194           195 
      1  -0.531534D+01  0.131376D+01 -0.748315D+01  0.700436D+01 -0.108529D+02
      2  -0.561634D+00  0.591299D+01 -0.822078D+00  0.841052D+00 -0.258279D+01
      3  -0.844157D+01 -0.251923D+01  0.107501D+02  0.707145D+01  0.660793D+01
               196           197           198           199           200 
      1  -0.108330D+01  0.973176D+01 -0.491319D+01 -0.492108D+01 -0.633600D+01
      2  -0.771969D+01 -0.432904D+00  0.509602D+00  0.382737D+01  0.313075D+00
      3  -0.135237D+01  0.524500D+01  0.128577D+01  0.950731D+01 -0.958758D+01
               201           202           203           204           205 
      1  -0.230079D+01 -0.828803D+01 -0.505336D+01 -0.905229D+01  0.777540D+00
      2   0.760548D+01 -0.587253D+00  0.157829D+01  0.245751D+01 -0.651111D+01
      3   0.237803D+01  0.792489D+01 -0.559630D+01  0.687615D+01  0.195699D+01
               206           207           208           209           210 
      1   0.108611D+02  0.560283D+01  0.162777D+01 -0.273419D+01  0.277411D+00
      2  -0.491174D-03 -0.255904D+00  0.103905D+02 -0.422093D+01 -0.885783D+01
      3   0.648316D+01 -0.681377D+00 -0.177856D+01  0.106446D-01  0.321832D+01
               211           212           213           214           215 
      1  -0.164371D+01  0.994307D+00  0.938752D+00  0.160889D+01  0.222854D+01
      2  -0.580600D+01  0.252117D+01  0.165353D+01 -0.118302D+02  0.871489D+00
      3   0.301667D+01 -0.807824D+00 -0.715068D+00  0.358417D+01  0.738517D+00
               216           217           218           219           220 
      1  -0.236129D+01 -0.765881D+00  0.172395D+01 -0.471509D+00  0.232407D+01
      2   0.936461D+01 -0.984106D-01  0.759363D+00 -0.147189D+01  0.205878D+01
      3  -0.234736D+01  0.919675D+00 -0.173762D+01 -0.263681D+00  0.870745D+00
               221           222           223           224           225 
      1  -0.858263D+01  0.544235D+01 -0.213719D+00  0.750096D+01 -0.510517D+01
      2   0.366293D+01 -0.498975D+01 -0.263011D+01 -0.510547D+01  0.758588D+01
      3   0.556297D+01 -0.582719D+01 -0.583464D+00 -0.503704D+01  0.525420D+01
               226           227           228           229           230 
      1   0.386017D+01 -0.291442D-01  0.247799D+01 -0.554021D+00  0.724507D+00
      2  -0.960129D+01  0.466117D-01 -0.649172D+01 -0.246663D+01 -0.441588D+01
      3  -0.214941D+01  0.151016D+00 -0.315759D+01 -0.169106D+01 -0.315462D+01
               231           232           233           234           235 
      1   0.199399D+01 -0.120015D+01  0.138546D+01  0.133951D+02 -0.145806D+01
      2  -0.251885D+01 -0.511933D+01  0.389791D+01 -0.257338D+02  0.223286D+01
      3   0.301863D+01 -0.477641D+01  0.170535D+01 -0.337917D+01 -0.211171D+01
               236           237           238           239           240 
      1  -0.941815D+00  0.289646D+00  0.292209D+00 -0.748972D+01 -0.315499D+01
      2   0.466425D+00 -0.229110D+00 -0.314240D+00 -0.549544D+01  0.324138D+01
      3  -0.904409D+00  0.442755D+00  0.446113D+01 -0.302818D+02  0.209826D+01
               241           242           243           244           245 
      1   0.145147D+00 -0.113268D+01  0.414256D+00  0.197110D+01 -0.870100D+00
      2  -0.589520D+00  0.344296D+01 -0.257165D+01 -0.121246D+02 -0.382890D+01
      3   0.922851D+00 -0.982101D+00 -0.335288D+01 -0.392588D+01 -0.556945D+01
               246           247           248           249           250 
      1  -0.301744D+01  0.411994D+00  0.249954D+00 -0.146596D+01 -0.512401D+01
      2   0.126080D+02 -0.394165D+01 -0.581612D+01  0.698086D+01  0.187820D+02
      3   0.140693D+01 -0.468738D+01 -0.391982D+01  0.552031D+01  0.820022D+00
               251           252           253           254           255 
      1   0.109282D+01  0.464260D+01 -0.373337D+01 -0.974380D+00 -0.258630D+01
      2   0.104270D+02 -0.226095D+02  0.107689D+02  0.430852D+01  0.102461D+02
      3   0.809344D+01 -0.535202D+01 -0.555449D+01 -0.557669D+01 -0.652029D+00
               256           257           258           259           260 
      1  -0.197601D+01 -0.181113D+01 -0.354347D+01 -0.420127D+01 -0.163536D+01
      2   0.555989D+01  0.689880D+01  0.691658D+01  0.157801D+02  0.942671D+01
      3  -0.341523D+01 -0.592992D+01 -0.509154D+01 -0.105205D+01 -0.988055D+01
               261           262           263           264           265 
      1  -0.556782D+01  0.120506D+01  0.118793D+01 -0.118215D+01  0.516715D+00
      2   0.187914D+02 -0.110228D+02 -0.392969D+01 -0.829222D+01 -0.296202D+01
      3  -0.496477D+01  0.119621D+02  0.523594D+01  0.304081D+01  0.670460D+01
               266           267           268           269           270 
      1  -0.103339D+00 -0.131938D+01 -0.342961D-01  0.216139D+01 -0.242124D+01
      2  -0.644478D+01 -0.656241D+01 -0.103523D+02 -0.888084D+01 -0.209508D+02
      3   0.589559D+01  0.605677D+01  0.465325D+01  0.913589D+01  0.977068D+01
               271           272           273           274           275 
      1   0.849670D+00 -0.206487D+01  0.147204D+01 -0.112269D+01  0.782438D+00
      2  -0.990192D+00 -0.569951D+00  0.580466D+01  0.777650D-01 -0.461939D+00
      3   0.992318D+01 -0.125353D+02 -0.384031D+00 -0.953436D+01  0.742057D+01
               276           277           278           279           280 
      1  -0.145767D+01  0.646275D+00  0.299592D+00  0.113735D+00  0.316251D+01
      2  -0.394054D+01  0.400300D+01 -0.410263D+01 -0.145777D+01  0.276523D+01
      3   0.134552D+01 -0.654731D+00  0.480068D+00  0.364402D+01 -0.481742D+01
               281           282           283           284           285 
      1   0.284925D+00  0.408489D+01  0.134935D+01  0.350161D-01  0.804498D+00
      2  -0.105159D+01  0.103233D+02 -0.149363D+01  0.133419D+01  0.193003D+01
      3  -0.373411D+01 -0.153251D+01 -0.560427D+01  0.312475D+01 -0.352624D+01
               286           287           288           289           290 
      1   0.432906D+01  0.228734D+01  0.593843D+01 -0.228365D+01 -0.219945D+01
      2   0.787761D+01 -0.132129D+01  0.152879D+02  0.124677D+01  0.860371D-01
      3  -0.614489D+00 -0.351029D+01 -0.145009D+01  0.779926D+01  0.524910D+01
               291           292           293           294           295 
      1  -0.559213D+00  0.209729D+01 -0.916895D+01 -0.361765D+01 -0.561420D+00
      2   0.728964D-01  0.317461D+01 -0.167222D+01 -0.399877D+01 -0.625807D+00
      3   0.112672D+01 -0.505084D+00  0.348095D+02 -0.292201D+01  0.279922D+01
               296           297           298           299           300 
      1  -0.586246D+00 -0.197245D+01 -0.765183D+00  0.440966D+01 -0.277536D+01
      2  -0.340521D+01 -0.154841D+01 -0.263967D+01 -0.184475D+01  0.554825D+00
      3   0.172186D+01  0.416839D+01  0.115184D+02  0.747042D+01  0.403652D+01
               301           302           303           304           305 
      1  -0.932351D+00  0.579574D+01 -0.615516D+01 -0.157549D+01 -0.477803D+01
      2  -0.200860D+01 -0.598201D+00  0.601624D+00 -0.139551D+01  0.560523D+00
      3   0.112174D+02  0.682647D+01  0.325520D+01  0.234905D+01  0.138894D+01
               306           307           308           309           310 
      1  -0.162892D+00 -0.470227D+01  0.163500D+01  0.777785D+01  0.127825D+01
      2   0.796171D+00  0.777445D+01 -0.190469D+01 -0.213967D+01 -0.291722D+00
      3   0.637473D+00 -0.169286D+02  0.451626D+01  0.719787D+01  0.386364D+01
               311           312           313           314           315 
      1  -0.405005D+01 -0.220514D+01  0.603778D+01 -0.585906D+00 -0.867102D+01
      2   0.157558D+01  0.672898D+00 -0.556628D+01  0.215824D+01  0.307897D+01
      3  -0.262217D+01 -0.253874D+01  0.859454D+01 -0.477290D+01 -0.817802D+01
               316           317           318           319           320 
      1   0.485974D+01  0.142516D+01 -0.803770D+01  0.101049D+01  0.406980D+01
      2   0.743503D+01  0.148459D+01 -0.164495D+01 -0.377126D+00  0.117198D+01
      3   0.175348D+02  0.390980D+01 -0.718836D+01  0.240109D+01  0.243713D+01
               321           322           323           324           325 
      1  -0.200553D+01 -0.562429D+01 -0.723617D+00  0.862715D+01  0.110557D+01
      2  -0.539380D+00 -0.485408D+01 -0.202626D+01  0.261580D+01 -0.276844D+01
      3  -0.219418D+01 -0.747238D+01 -0.469844D+01  0.772519D+01 -0.115268D+02
               326           327           328           329           330 
      1   0.424040D+01  0.246138D+01 -0.119563D+01 -0.547081D+01 -0.621615D+01
      2   0.159806D+01  0.580034D+00  0.221457D+01 -0.605002D+00 -0.380516D+00
      3   0.736249D+01 -0.398279D+01  0.106086D+02 -0.721217D+01  0.362101D+01
               331           332           333           334           335 
      1   0.128877D+01 -0.473516D+01  0.505377D+00 -0.241030D+01 -0.274890D+01
      2  -0.158378D+01 -0.303496D+00  0.685648D+00  0.134530D+02  0.474449D+01
      3  -0.269578D+01  0.141037D+01 -0.752705D+00  0.238648D+01 -0.248538D+00
               336           337           338           339           340 
      1  -0.627444D+00 -0.144187D+01 -0.116317D+01  0.119903D+01 -0.186331D+01
      2  -0.811666D+01  0.632658D+01  0.217090D+01 -0.120838D+01 -0.121285D+02
      3  -0.280088D+01  0.277673D+01  0.410696D+00 -0.481260D+00 -0.332303D+01
               341           342           343           344           345 
      1   0.235470D+01  0.215204D+01  0.105054D+01  0.126184D+01  0.221025D+00
      2  -0.352347D+00  0.862209D+01 -0.741909D-01 -0.105176D+01 -0.169694D+01
      3   0.949973D+00  0.192641D+01 -0.832468D+00 -0.140337D+01  0.267808D+00
               346           347           348           349           350 
      1   0.181603D+01  0.890975D+01  0.566943D+01  0.468094D+00  0.777707D+01
      2  -0.238044D+01  0.359472D+01  0.485220D+01 -0.288745D+01  0.486467D+01
      3   0.120516D+01 -0.548947D+01 -0.551805D+01  0.671548D+00 -0.508848D+01
               351           352           353           354           355 
      1   0.529084D+01  0.155267D+01 -0.295137D+01  0.243322D+01 -0.251128D+01
      2   0.707938D+01  0.233141D+01 -0.250346D+01  0.279879D+01  0.455597D+00
      3  -0.529213D+01 -0.144086D+01 -0.571217D+01  0.202645D+01 -0.372661D+01
               356           357           358           359           360 
      1   0.502287D+01 -0.501197D+01  0.158729D+01 -0.317776D+01  0.218765D+01
      2   0.863938D+00 -0.536636D+01  0.938636D-01 -0.528797D+01  0.141736D+01
      3   0.178790D+02 -0.129032D+01  0.390260D+00 -0.432717D+01  0.430838D+01
               361           362           363           364           365 
      1  -0.798704D+00 -0.141927D+01 -0.266880D+01  0.292809D+00 -0.129824D+01
      2  -0.947818D+01 -0.554201D+01 -0.678963D+01 -0.149546D+01 -0.747574D+01
      3   0.111170D+02  0.450687D+01  0.586773D+01  0.411826D+01  0.759339D+01
               366           367           368           369           370 
      1  -0.296133D+01  0.585840D+00 -0.151348D+01 -0.828024D+01  0.486245D+00
      2  -0.609036D+01 -0.846893D+01 -0.117379D+02 -0.179721D+02 -0.719982D+01
      3   0.615372D+01  0.858720D+01  0.875249D+01  0.110492D+02  0.512817D+01
               371           372           373           374           375 
      1  -0.207638D+01  0.161531D+00 -0.750254D+00  0.246946D+01  0.161855D+00
      2   0.497437D+01  0.108272D+02  0.533092D+01 -0.603076D+01 -0.573310D+01
      3  -0.697339D+01 -0.537181D+01 -0.508256D+01  0.945484D+01  0.659315D+01
               376           377           378           379           380 
      1   0.199872D-01  0.241150D+01 -0.119003D+01 -0.267826D+01  0.346658D+01
      2   0.952037D+01 -0.451618D+01 -0.137531D+02 -0.113360D+02  0.621580D+01
      3  -0.483901D+01  0.537568D+01  0.402922D+01 -0.342179D+01  0.522920D+01
               381           382           383           384           385 
      1  -0.232149D+01  0.361693D+01 -0.673062D+01  0.269770D+01 -0.265565D+01
      2  -0.481978D+01  0.957058D+01 -0.102594D+02  0.117318D+02 -0.608827D+01
      3  -0.385450D+01  0.809089D+01 -0.133302D+02  0.717651D+01 -0.374605D+01
               386           387           388           389           390 
      1   0.511887D+01 -0.406324D+01  0.898020D+00 -0.273825D-02 -0.126152D+01
      2   0.872762D+01 -0.159518D+02 -0.905988D+01 -0.442273D+01  0.777625D+01
      3   0.646553D+01 -0.701119D+01 -0.166639D+02 -0.126035D+02  0.304986D+01
               391           392           393           394           395 
      1   0.114528D+01 -0.210404D+00 -0.166541D+01 -0.560066D+00  0.830630D+00
      2  -0.832420D+01 -0.250267D+01  0.429017D+01  0.867805D+01  0.274155D+01
      3  -0.150031D+02 -0.149409D+02  0.127620D+01  0.703519D+01  0.377181D+01
               396           397           398           399           400 
      1   0.947778D+00 -0.118578D+01  0.888560D+00 -0.473591D-02  0.989159D+00
      2  -0.612847D+01  0.863327D+01 -0.400640D+01  0.637390D+01 -0.869004D+01
      3  -0.193389D+01  0.677301D+01 -0.733385D+01  0.511224D+01 -0.111355D+02
               401           402           403           404           405 
      1  -0.137075D+01 -0.883861D+00 -0.388916D+00  0.234057D+01 -0.245373D-01
      2   0.649241D+01 -0.113024D+02  0.805451D+01 -0.742333D+01  0.159004D+02
      3   0.161462D+02 -0.814417D+01  0.941636D+01 -0.915137D+01  0.823931D+01
               406           407           408           409           410 
      1   0.553273D+01 -0.289497D+01  0.106251D+01 -0.297576D-01  0.878944D+01
      2  -0.377383D+01  0.136414D+01 -0.588908D+00 -0.183207D+01 -0.923799D+01
      3  -0.633758D+01  0.256490D+01 -0.469684D+01 -0.251508D-02 -0.223825D+02
               411           412           413           414           415 
      1  -0.583566D+01  0.152436D+00 -0.503505D+01  0.491122D+01 -0.217027D+01
      2   0.551849D+01  0.147713D+01  0.867294D+01 -0.818874D+01  0.497816D+01
      3   0.611210D+01 -0.760201D+01  0.102508D+02 -0.918960D+01 -0.137366D+01
               416           417           418           419           420 
      1  -0.812678D+00 -0.221872D+01 -0.489990D-01  0.107939D+01 -0.186639D+01
      2   0.387063D+01  0.631150D+01  0.252128D+01  0.437757D+01  0.628845D+01
      3  -0.445838D+01 -0.307605D+01 -0.439554D+01 -0.886212D+01 -0.558801D+01
               421           422           423 
      1  -0.224889D+01 -0.860993D-01 -0.600244D+01
      2   0.578177D+01  0.993183D+01  0.205172D+02
      3  -0.324618D+01 -0.759284D+01 -0.949150D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.383008D+02  0.105949D+02  0.952191D+01  0.192027D+02  0.163765D+02
      2   0.222533D+02 -0.698103D+01 -0.212716D+00 -0.163171D+02 -0.375871D+02
      3   0.160474D+02 -0.361387D+01 -0.930919D+01 -0.288564D+01  0.212106D+02
      4   0.181641D+01 -0.240914D+01  0.866161D+00 -0.653529D+01 -0.451137D+02
      5   0.666554D+01 -0.214372D+01  0.921169D+01 -0.880069D-01  0.283536D+01
      6  -0.237954D+01  0.194850D+00  0.461317D+01  0.334719D+01  0.808429D+01
                 6             7             8             9            10 
      1   0.162844D+01  0.722676D+01  0.220507D+01  0.169191D+02  0.191351D+02
      2   0.525659D+01 -0.252356D+01 -0.106921D+01  0.346437D+01 -0.166229D+02
      3  -0.688502D+01 -0.470320D+01 -0.113586D+01 -0.203834D+02 -0.251226D+01
      4   0.539093D+01  0.597950D+01  0.174757D+01  0.632025D+01  0.269358D+02
      5   0.505715D+01  0.672241D+01  0.161834D+01  0.162570D+02 -0.921377D-01
      6   0.210066D+01  0.158038D+01  0.852362D+00  0.853835D+01 -0.267856D+01
                11            12            13            14            15 
      1   0.911740D+01 -0.358311D+01  0.473375D+02  0.670665D+01 -0.845269D+01
      2   0.118205D+02  0.162240D+01 -0.137858D+02 -0.126846D+02  0.262528D+01
      3  -0.209379D+02  0.196071D+01 -0.335517D+02  0.597796D+01  0.582741D+01
      4   0.143834D+02 -0.690505D+01  0.155296D+02  0.137126D+02  0.111035D+00
      5  -0.403769D+01  0.969446D+01 -0.191692D+01 -0.160923D+01  0.136328D+01
      6   0.634548D+01 -0.207245D+01 -0.686584D+00 -0.214911D+01  0.598462D+01
                16            17            18            19            20 
      1  -0.211953D+02  0.375982D+01  0.698426D+01  0.588208D+02 -0.148187D+02
      2   0.486309D+01 -0.875712D+01 -0.301694D+01 -0.332225D+02  0.157647D+02
      3   0.163322D+02  0.499730D+01 -0.396733D+01 -0.255983D+02 -0.946081D+00
      4  -0.340808D+01 -0.800436D+01  0.889631D+01 -0.243472D+02  0.103106D+02
      5   0.148180D+02  0.653992D+01 -0.808510D+01  0.403501D+02 -0.806648D+01
      6   0.508802D+01  0.244101D+01 -0.404032D+01 -0.829066D+01  0.553548D+01
                21            22            23            24            25 
      1   0.141732D+02 -0.477428D+02  0.366450D+01  0.910726D+01  0.246955D+02
      2  -0.173826D+02  0.166982D+02  0.105821D+02 -0.637829D+01 -0.742932D+01
      3   0.320943D+01  0.310445D+02 -0.142466D+02 -0.272898D+01 -0.172662D+02
      4  -0.710068D+01  0.389486D+01 -0.115934D+02  0.495955D+01  0.151125D+02
      5   0.153451D+02  0.597286D+01  0.661662D+01  0.114649D+01 -0.386770D+00
      6  -0.545248D+01  0.587300D+01 -0.191953D+01 -0.230226D+01  0.105771D+01
                26            27            28            29            30 
      1   0.814056D+01 -0.355346D+01 -0.364174D+02  0.258780D+01 -0.208659D+02
      2  -0.902551D+01 -0.238140D+01  0.282981D+02 -0.839111D+01  0.161525D+02
      3   0.884945D+00  0.593486D+01  0.811939D+01  0.580332D+01  0.471335D+01
      4  -0.472507D+00 -0.252198D+01  0.546426D+01  0.443474D+01  0.115131D+02
      5   0.421079D+00  0.170741D+01 -0.411612D+02  0.109353D+02 -0.364945D+02
      6   0.340852D+00  0.976324D+01  0.961964D+01 -0.195003D+01  0.814582D+01
                31            32            33            34            35 
      1  -0.311503D+01  0.124134D+02  0.368234D+01 -0.318130D+02  0.139574D+02
      2   0.706046D+01 -0.240156D+02 -0.908794D-01  0.259046D+02 -0.102100D+02
      3  -0.394543D+01  0.116022D+02 -0.359146D+01  0.590832D+01 -0.374733D+01
      4  -0.710678D+01  0.363365D+02 -0.356153D+01  0.171801D+02  0.493974D+01
      5   0.679839D+01 -0.583718D+01 -0.719790D+01 -0.583931D+02 -0.122606D+01
      6  -0.369436D+01  0.701625D+01  0.141477D+01  0.124087D+02 -0.329258D+00
                36            37            38            39            40 
      1  -0.385169D+02 -0.799522D+02  0.498200D+02  0.136809D+02  0.542207D+02
      2   0.282959D+02  0.358362D+02 -0.226407D+02 -0.379606D+01 -0.261522D+02
      3   0.102210D+02  0.441160D+02 -0.271793D+02 -0.988485D+01 -0.280686D+02
      4  -0.142402D+00  0.559730D+02 -0.135598D+02 -0.490380D+01 -0.174093D+02
      5  -0.229156D+02  0.147907D+02 -0.523348D+01  0.245312D+02 -0.351556D+01
      6   0.369890D+01 -0.810377D+01  0.175177D+01 -0.477161D+01  0.119842D+01
                41            42            43            44            45 
      1  -0.122447D+02  0.988555D+00  0.473111D+01  0.281436D+01  0.359195D+02
      2   0.789887D+01  0.112162D+01  0.130914D+01  0.139643D+01 -0.175362D+02
      3   0.434588D+01 -0.211017D+01 -0.604025D+01 -0.421079D+01 -0.183833D+02
      4  -0.167976D+02  0.657366D+01 -0.155835D+01  0.618901D+01  0.166998D+02
      5   0.704167D+01  0.173471D+02  0.345006D+02  0.179345D+02  0.446972D+01
      6   0.684646D+00 -0.385173D+01 -0.353606D+01 -0.317710D+01 -0.523664D+01
                46            47            48            49            50 
      1   0.184751D+02 -0.328025D+02 -0.456094D+00 -0.482852D+02 -0.957687D+01
      2  -0.832776D+01  0.185173D+02 -0.613129D+01  0.265834D+02  0.972154D+01
      3  -0.101474D+02  0.142852D+02  0.658738D+01  0.217018D+02 -0.144671D+00
      4  -0.351747D+02 -0.121684D+02  0.362228D+01 -0.175188D+02  0.185335D+02
      5   0.695090D+01  0.598689D+01 -0.417546D+02  0.529113D+01 -0.393958D+01
      6   0.666006D+01  0.132033D+00 -0.108451D+02  0.929467D+00 -0.377217D+01
                51            52            53            54            55 
      1   0.226033D+00  0.955273D+01 -0.588243D+00 -0.551765D+02 -0.448779D+01
      2  -0.421835D+01 -0.143699D+02 -0.459483D+01  0.289868D+02 -0.101513D+02
      3   0.399232D+01  0.481713D+01  0.518307D+01  0.261897D+02  0.146391D+02
      4  -0.406465D+01  0.307421D+01 -0.431657D+01 -0.427347D+02  0.146375D+02
      5  -0.269335D+02 -0.720251D+02 -0.364470D+02  0.131922D+02  0.227141D+01
      6  -0.792567D+01 -0.199058D+02 -0.815487D+01  0.417549D+01 -0.216673D+01
                56            57            58            59            60 
      1   0.809147D+01 -0.214729D+02 -0.360392D+01 -0.178822D+01  0.466950D+01
      2  -0.976528D+01 -0.121054D+02 -0.809880D+00  0.843591D+01  0.433837D+01
      3   0.167381D+01  0.335782D+02  0.441380D+01 -0.664769D+01 -0.900787D+01
      4  -0.237536D+01 -0.992272D-01  0.451634D+01  0.338533D+01 -0.170011D+01
      5  -0.982471D-01  0.232930D+02 -0.195539D+01 -0.871852D+00  0.505233D+01
      6   0.257824D+01  0.730217D+01 -0.297482D+00  0.351891D+01 -0.827811D+01
                61            62            63            64            65 
      1   0.456360D+01 -0.140163D+02 -0.458745D+01 -0.600288D+00 -0.542588D+01
      2  -0.205209D+02  0.885896D+01 -0.265792D+02  0.501149D+01 -0.326216D+01
      3   0.159573D+02  0.515736D+01  0.311666D+02 -0.441120D+01  0.868803D+01
      4  -0.117147D+02  0.381640D+01  0.756123D+00 -0.136623D+01  0.983287D+01
      5   0.265867D+02 -0.396510D+00  0.301351D+02  0.661714D+01 -0.212450D+01
      6  -0.439796D+01 -0.456698D+01  0.160753D+01 -0.132233D+01 -0.450533D+00
                66            67            68            69            70 
      1   0.597947D+01 -0.803137D+01  0.637727D+01 -0.256147D+02 -0.263287D+01
      2  -0.664945D+01 -0.106370D+01 -0.172765D+02 -0.680391D+01 -0.398373D+01
      3   0.669975D+00  0.909507D+01  0.108993D+02  0.324186D+02  0.661660D+01
      4  -0.298136D+01  0.421230D+01  0.142646D+01  0.920102D+00 -0.426188D+01
      5   0.305770D+01  0.315285D+00  0.941842D+00  0.181344D+02  0.324689D+01
      6   0.115989D+02  0.502330D+01  0.576272D+01  0.148772D+02  0.438124D+01
                71            72            73            74            75 
      1  -0.220274D+02 -0.226815D+02  0.478272D-01 -0.336475D+01 -0.407586D+01
      2   0.109567D+02 -0.136566D+02  0.101728D+02 -0.736171D+01  0.226084D+01
      3   0.110707D+02  0.363381D+02 -0.102207D+02  0.107265D+02  0.181502D+01
      4   0.856502D+01  0.877554D+01 -0.753040D+01 -0.236902D+00  0.159588D+02
      5   0.818666D+01  0.213068D+02  0.357156D+01  0.120698D+02 -0.132581D+01
      6   0.170170D+02  0.204146D+02  0.108645D+02  0.610942D+01  0.424937D+01
                76            77            78            79            80 
      1   0.116429D+02 -0.333888D+02 -0.100974D+02 -0.985443D+00  0.483737D+01
      2  -0.409541D+01  0.493243D+02 -0.225643D+00  0.146552D+00  0.179958D+01
      3  -0.754750D+01 -0.159355D+02  0.103230D+02  0.838891D+00 -0.663696D+01
      4   0.713836D+01  0.239726D+02  0.450350D+01  0.896260D+01  0.786787D+01
      5   0.223753D+01  0.516913D+01  0.498450D+01 -0.231444D+01  0.837009D+00
      6   0.263241D+01  0.231791D+02  0.111991D+02  0.647733D+01  0.818247D+01
                81            82            83            84            85 
      1  -0.885952D+01  0.853111D+01  0.182232D+02 -0.526106D+00  0.134846D+02
      2   0.898423D+01 -0.146500D+02 -0.409573D+02 -0.547579D+01 -0.263543D+02
      3  -0.124713D+00  0.611884D+01  0.227342D+02  0.600189D+01  0.128697D+02
      4  -0.332960D+01 -0.166954D+01 -0.235799D+02 -0.137706D+02 -0.153416D+02
      5   0.570270D+01  0.853674D+00 -0.839865D+01 -0.467588D+01 -0.321758D+01
      6  -0.118491D+01 -0.176347D+02 -0.772213D+01  0.156947D+02 -0.327225D+01
                86            87            88            89            90 
      1   0.265664D+02  0.621464D+01 -0.247787D+01 -0.365463D+01  0.372281D+01
      2  -0.535425D+02 -0.120119D+02 -0.821094D+00  0.367187D+01 -0.410783D+01
      3   0.269761D+02  0.579730D+01  0.329897D+01 -0.172453D-01  0.385017D+00
      4  -0.367997D+02 -0.213980D+01 -0.929753D+01 -0.126111D+01  0.103307D+02
      5  -0.261026D+01  0.139218D+00 -0.446814D+01  0.170176D+01  0.306853D+01
      6  -0.224100D+02 -0.470544D+01  0.179823D+02 -0.109468D+02 -0.628883D-01
                91            92            93            94            95 
      1   0.834772D+01 -0.191102D+02  0.569391D+00 -0.139420D+02  0.287993D+02
      2  -0.133320D+02  0.409011D+02 -0.681056D+01  0.253433D+02 -0.539900D+02
      3   0.498432D+01 -0.217909D+02  0.624116D+01 -0.114012D+02  0.251907D+02
      4  -0.251210D+00 -0.215140D+02  0.136322D+02 -0.132294D+02  0.351669D+02
      5   0.153602D+01  0.810822D+01 -0.534046D+01  0.316068D+01 -0.316233D+01
      6   0.175349D+02 -0.863437D+01 -0.153449D+02 -0.455861D+01  0.237233D+02
                96            97            98            99           100 
      1  -0.690187D+01 -0.112763D+01  0.264528D+01  0.358112D+01 -0.466193D+01
      2   0.130928D+02 -0.251473D+01 -0.243814D+01 -0.402136D+01  0.116239D+02
      3  -0.619091D+01  0.364236D+01 -0.207140D+00  0.440231D+00 -0.696198D+01
      4  -0.327138D+01  0.859315D+01 -0.244332D+01 -0.103781D+02  0.117789D+02
      5   0.200375D+00 -0.468696D+01 -0.170680D+01  0.376324D+01  0.186262D+01
      6  -0.545317D+01 -0.175983D+02 -0.110306D+02  0.361023D+00 -0.102451D+02
               101           102           103           104           105 
      1   0.473206D+01 -0.354120D+01 -0.875916D+01 -0.350040D+02  0.101719D+02
      2   0.657262D+01  0.330783D+01  0.318906D+01  0.486770D+02 -0.759392D+00
      3  -0.113047D+02  0.233375D+00  0.557011D+01 -0.136730D+02 -0.941256D+01
      4  -0.234094D+01 -0.149032D+02  0.528418D+01 -0.197081D+02  0.425700D+01
      5  -0.108160D+02 -0.631172D+00 -0.135434D+01  0.427483D+01 -0.340982D+01
      6   0.496547D+01 -0.411094D+01  0.100425D+01 -0.235002D+02  0.102002D+02
               106           107           108           109           110 
      1  -0.232803D+01 -0.284199D+01 -0.936454D+01  0.129281D+02 -0.103209D+02
      2   0.640892D+00 -0.239221D+01  0.671807D+01 -0.954113D+01 -0.136708D+02
      3   0.168714D+01  0.523421D+01  0.264647D+01 -0.338700D+01  0.239918D+02
      4  -0.772059D+01  0.758118D+01  0.266756D+01 -0.307871D+02  0.194405D+02
      5  -0.180461D+01 -0.944171D+00  0.454937D+01  0.451218D+01  0.306285D+01
      6  -0.618140D+01  0.847770D+01 -0.275138D+00  0.499857D+01  0.719856D+01
               111           112           113           114           115 
      1  -0.289590D+01 -0.453157D+02  0.115305D+02  0.455242D+01 -0.291241D+02
      2  -0.128875D+00  0.777031D+01 -0.138384D+02  0.348891D+00  0.481814D+01
      3   0.302478D+01  0.375454D+02  0.230788D+01 -0.490131D+01  0.243059D+02
      4   0.663915D+01  0.215162D+02 -0.166539D+02 -0.192310D+00  0.937051D+01
      5   0.586219D+01 -0.316188D+01 -0.158252D+01  0.941186D-01  0.123390D+02
      6   0.282715D+01 -0.821285D+00  0.208408D+01  0.580489D+01 -0.205803D+01
               116           117           118           119           120 
      1  -0.349493D+01  0.511911D+01  0.600987D+02  0.131410D+02  0.111032D+02
      2   0.105905D+02  0.698821D+00 -0.351868D+02 -0.130902D+02 -0.165046D+02
      3  -0.709554D+01 -0.581793D+01 -0.249119D+02 -0.508002D-01  0.540134D+01
      4  -0.107325D+02 -0.100296D+02  0.225834D+02  0.114946D+02  0.519068D+01
      5  -0.645719D+01 -0.387543D+01  0.355869D+02  0.626728D+01  0.180034D+02
      6   0.459533D+01  0.237530D+01  0.451812D+01  0.654272D+01  0.550857D+01
               121           122           123           124           125 
      1   0.394066D+02  0.484121D+01 -0.895023D+01  0.248660D+02 -0.875298D+01
      2  -0.913847D+01  0.836189D+01  0.508384D+01 -0.654111D+01  0.789595D+01
      3  -0.302681D+02 -0.132031D+02  0.386640D+01 -0.183249D+02  0.857031D+00
      4   0.320349D+01  0.111091D+02  0.442984D+01 -0.165272D+02  0.247743D+01
      5  -0.760065D+01  0.537940D+01 -0.666950D+00  0.343000D+01  0.234206D+01
      6   0.692305D+01  0.145136D+00 -0.935130D+00 -0.197175D+01  0.158120D+00
               126           127           128           129           130 
      1  -0.333661D+01 -0.364526D+01 -0.100718D+02 -0.245707D+02  0.162574D+01
      2  -0.339814D+01 -0.631869D+01  0.109155D+02 -0.118632D+02  0.257596D+01
      3   0.673475D+01  0.996395D+01 -0.843650D+00  0.364339D+02 -0.420171D+01
      4   0.497669D+01 -0.202754D+02 -0.108349D+01 -0.699269D+00  0.343217D+01
      5   0.459843D+01 -0.200674D+00 -0.755805D+00  0.185208D+02  0.249882D+01
      6  -0.595215D+01  0.158816D+01  0.161238D+01 -0.765831D+01  0.278380D+00
               131           132           133           134           135 
      1  -0.239402D+01 -0.326107D+01  0.801658D+01  0.143849D+02 -0.691815D+01
      2   0.837386D+01 -0.389509D+01 -0.239836D+02 -0.878153D+01 -0.282699D+02
      3  -0.597984D+01  0.715616D+01  0.159670D+02 -0.560342D+01  0.351880D+02
      4  -0.193039D+01 -0.133178D+01  0.102373D+02  0.250148D+01 -0.170831D+01
      5  -0.569750D+00 -0.619980D+01  0.262614D+02 -0.484462D+00  0.331475D+02
      6  -0.396725D+01 -0.813375D+01  0.353190D+01 -0.398075D+01 -0.254649D+01
               136           137           138           139           140 
      1  -0.142446D+01  0.518637D+01  0.835676D+01  0.663651D+01  0.799264D+01
      2   0.556146D+01  0.106169D+01 -0.623502D+01 -0.214551D+00 -0.172282D+02
      3  -0.413700D+01 -0.624806D+01 -0.212175D+01 -0.642196D+01  0.923556D+01
      4   0.254150D+01  0.100474D+02  0.339820D+01  0.762554D+01 -0.345387D+01
      5   0.608396D+01  0.220684D+01  0.206416D+01 -0.430259D+00  0.118274D+01
      6   0.143222D+01 -0.135971D+01 -0.948318D+01  0.508968D+01 -0.446858D+01
               141           142           143           144           145 
      1   0.260950D+02 -0.184779D+01  0.223918D+02 -0.228952D+02 -0.186709D+02
      2   0.840243D+01 -0.379447D+01 -0.111954D+02 -0.124189D+02  0.118094D+01
      3  -0.344974D+02  0.564226D+01 -0.111964D+02  0.353141D+02  0.174899D+02
      4   0.724111D+00  0.628475D+01  0.680488D+01 -0.622560D+01  0.196022D+02
      5  -0.152384D+02  0.628816D+00 -0.669973D+01  0.188297D+02  0.914088D+00
      6   0.156690D+02 -0.349478D+01  0.164685D+02 -0.195944D+02  0.178703D-01
               146           147           148           149           150 
      1   0.197819D+01  0.105407D+02  0.421024D+01 -0.176627D+02  0.103476D+02
      2   0.180370D+02 -0.612833D+01  0.221964D+02 -0.134102D+02 -0.478718D+01
      3  -0.200151D+02 -0.441236D+01 -0.264067D+02  0.310729D+02 -0.556046D+01
      4  -0.300292D+02  0.771709D+01 -0.505545D+02  0.463280D+02 -0.287981D+01
      5   0.118534D+02  0.466349D+01  0.142775D+02 -0.285012D+01  0.339964D+01
      6  -0.640444D+01 -0.841730D+01 -0.190152D+01  0.131605D+01 -0.623201D+01
               151           152           153           154           155 
      1   0.140437D+02  0.201294D+02  0.153691D+02 -0.657733D+01  0.225836D+02
      2  -0.131088D+02 -0.194900D+01 -0.779658D+01  0.520059D+01 -0.205770D+02
      3  -0.934918D+00 -0.181804D+02 -0.757253D+01  0.137674D+01 -0.200659D+01
      4   0.189187D+02 -0.132734D+02  0.577338D+01  0.298034D+02 -0.303005D+01
      5   0.269544D+01  0.818694D+01  0.402812D+01  0.297514D+02 -0.347224D+02
      6  -0.525684D+01 -0.824731D+01 -0.866559D+01 -0.110686D+02  0.326070D+01
               156           157           158           159           160 
      1   0.189465D+02  0.324318D+02  0.665551D+01 -0.420127D+02  0.154850D+02
      2  -0.963551D+01 -0.264298D+02  0.148593D+01  0.192195D+02 -0.679587D+01
      3  -0.931096D+01 -0.600198D+01 -0.814144D+01  0.227932D+02 -0.868913D+01
      4  -0.340072D+02 -0.314698D+01 -0.205358D+01  0.181718D+02 -0.410484D+02
      5  -0.229779D+02 -0.474596D+02  0.151101D+02  0.215064D+00 -0.225023D+02
      6   0.991318D+01  0.602671D+01 -0.104367D+01 -0.591338D+01  0.115066D+02
               161           162           163           164           165 
      1  -0.374053D+02 -0.138730D+02 -0.532178D+02 -0.326250D+02 -0.387136D+01
      2   0.152239D+02  0.109246D+02  0.225748D+02  0.152989D+02  0.429635D+01
      3   0.221814D+02  0.294837D+01  0.306430D+02  0.173261D+02 -0.424995D+00
      4   0.169599D+02 -0.202983D+01 -0.369837D+02 -0.210746D+02  0.319815D+02
      5  -0.232056D+01  0.178869D+02 -0.317397D+01  0.314305D+02  0.136856D+01
      6  -0.483564D+01 -0.991518D+00  0.752302D+01  0.581959D+00  0.249003D+01
               166           167           168           169           170 
      1  -0.508078D+02 -0.312955D+02  0.445300D+02 -0.225182D+01  0.450342D+02
      2   0.231034D+02  0.153385D+02 -0.226486D+02  0.249684D+01 -0.240968D+02
      3   0.277044D+02  0.159570D+02 -0.218814D+02 -0.245017D+00 -0.209374D+02
      4  -0.378783D+02  0.366687D+01 -0.105993D+02  0.494105D+02 -0.786728D+01
      5   0.478320D+02 -0.108217D+02  0.214858D+02 -0.936013D+01  0.208517D+02
      6  -0.258351D+01  0.473625D+01 -0.329321D+01  0.389728D+01 -0.326325D+01
               171           172           173           174           175 
      1  -0.466145D+01 -0.168737D+02  0.630839D+01  0.410706D+01  0.493652D+01
      2   0.232024D+01  0.120746D+02  0.122334D+00 -0.234727D+01 -0.478403D+01
      3   0.234121D+01  0.479914D+01 -0.643073D+01 -0.175980D+01 -0.152488D+00
      4   0.199589D+02  0.964249D+00 -0.497074D+01 -0.201982D+02 -0.176568D+02
      5  -0.711728D+01 -0.828083D+01 -0.203376D+02 -0.214534D+02 -0.264763D+02
      6   0.487254D+01 -0.507392D+01 -0.672905D+01 -0.709384D+01 -0.794992D+01
               176           177           178           179           180 
      1  -0.170967D+01 -0.209914D+02  0.996255D+01 -0.188976D+02 -0.105160D+02
      2  -0.557875D+01  0.177053D+02  0.265282D+01  0.204964D+02  0.890814D+01
      3   0.728842D+01  0.328605D+01 -0.126154D+02 -0.159885D+01  0.160785D+01
      4  -0.234501D+02 -0.828872D-02 -0.239241D+02  0.182426D+01 -0.282646D+02
      5  -0.125017D+00 -0.190845D+02 -0.326269D+02 -0.295325D+02 -0.321144D+02
      6  -0.224148D+01 -0.711446D+01 -0.153247D+02 -0.102561D+02 -0.145645D+02
               181           182           183           184           185 
      1  -0.598325D+02  0.118339D+01 -0.586381D+01  0.100194D+01  0.104572D+02
      2   0.404307D+02 -0.935369D+00  0.219126D+02  0.283827D-01 -0.156820D+02
      3   0.194018D+02 -0.248017D+00 -0.160488D+02 -0.103032D+01  0.522479D+01
      4   0.149558D+01 -0.172048D+02  0.134474D+01 -0.975762D+01 -0.885468D+00
      5  -0.297400D+02  0.301207D+00 -0.335683D+02 -0.129883D+01 -0.745530D+01
      6   0.429371D+00 -0.484132D+01 -0.188156D+01 -0.115552D+02 -0.493844D+00
               186           187           188           189           190 
      1   0.137732D+00 -0.145001D+02 -0.117316D+00  0.183210D+02  0.290237D+02
      2  -0.102026D+01  0.249721D+02  0.643578D+00  0.210584D+02 -0.117720D+02
      3   0.882525D+00 -0.104720D+02 -0.526262D+00 -0.393794D+02 -0.172516D+02
      4  -0.571841D+01  0.241687D+01 -0.137440D+02 -0.599110D+00 -0.224002D+02
      5  -0.343037D+00 -0.195251D+02  0.458654D+00 -0.296718D+02 -0.128223D+02
      6  -0.155341D+02 -0.132609D+01 -0.909200D+01  0.447897D+00  0.101117D+02
               191           192           193           194           195 
      1  -0.199110D+01 -0.194701D+01 -0.227724D+01 -0.461840D+02 -0.159916D+02
      2  -0.464577D+01  0.375065D+01 -0.815365D+01  0.745261D+02  0.134743D+02
      3   0.663687D+01 -0.180364D+01  0.104309D+02 -0.283420D+02  0.251731D+01
      4   0.262730D+02  0.993378D+01  0.246872D+02 -0.266059D+02 -0.984879D+01
      5   0.103241D+02  0.196934D+02  0.386866D+01 -0.110829D+02 -0.693806D+01
      6  -0.359832D+01 -0.649564D+01 -0.751657D+01  0.305477D+02  0.298174D+02
               196           197           198           199           200 
      1  -0.803333D+00 -0.173296D+02 -0.236953D+02  0.309295D+02  0.288563D+00
      2   0.600322D+01  0.730399D+01 -0.412269D+01 -0.154192D+02  0.631805D+01
      3  -0.519989D+01  0.100256D+02  0.278180D+02 -0.155104D+02 -0.660661D+01
      4   0.616798D+01 -0.530863D+01 -0.120473D+02  0.202248D+02  0.236604D+02
      5   0.202939D+02 -0.118718D+02 -0.174798D+02 -0.143666D+02 -0.945605D+01
      6  -0.109725D+02  0.318470D+02  0.326321D+02 -0.102004D+02 -0.401914D+01
               201           202           203           204           205 
      1  -0.206373D+01 -0.120562D+00 -0.389914D+02  0.163902D+02  0.610730D-01
      2   0.496068D+01  0.856180D+01  0.611489D+02 -0.130071D+02  0.688239D+01
      3  -0.289695D+01 -0.844124D+01 -0.221575D+02 -0.338317D+01 -0.694346D+01
      4  -0.102309D+02  0.235703D+02  0.261595D+02 -0.107053D+02 -0.661664D+01
      5   0.229292D+02 -0.372627D+01 -0.122649D+02  0.758667D+01  0.230116D+02
      6   0.755034D+01 -0.812168D+01 -0.309580D+02  0.289821D+02  0.122767D+02
               206           207           208           209           210 
      1   0.195574D+02 -0.255642D+02 -0.734331D+01  0.607715D+01  0.180084D+02
      2  -0.912905D+01 -0.983420D+01 -0.745499D+01  0.956137D+00  0.981825D+01
      3  -0.104284D+02  0.353984D+02  0.147983D+02 -0.703329D+01 -0.278266D+02
      4  -0.690752D+01  0.133475D+02 -0.332047D+01  0.132931D+01  0.292573D+01
      5   0.123540D+02 -0.224787D+02 -0.110775D+02  0.271422D+01  0.106614D+02
      6   0.302532D+02 -0.347648D+02  0.799918D+01 -0.717402D+01 -0.131011D+02
               211           212           213           214           215 
      1   0.286720D+01 -0.337568D+01 -0.858319D+00  0.970667D+01 -0.243164D+01
      2  -0.715419D+00  0.339564D+00  0.240198D+01  0.492189D+01 -0.454485D+00
      3  -0.215178D+01  0.303612D+01 -0.154366D+01 -0.146286D+02  0.288612D+01
      4   0.133317D+01 -0.188253D+01 -0.143402D+01  0.149847D+01 -0.198914D+01
      5   0.237161D+01 -0.269322D+01 -0.343471D+01  0.821628D+01 -0.247092D+01
      6  -0.430837D+01  0.404498D+01  0.511310D+01 -0.537184D+01  0.475007D+01
               216           217           218           219           220 
      1  -0.167352D+02 -0.386860D+00 -0.202481D+01  0.457567D+01  0.758045D+00
      2  -0.112411D+02 -0.175577D+00 -0.526529D+00  0.270599D+01  0.315017D+01
      3   0.279763D+02  0.562438D+00  0.255134D+01 -0.728166D+01 -0.390821D+01
      4  -0.253953D+01 -0.235208D+01  0.183064D+01 -0.179051D+01  0.483820D+01
      5  -0.113638D+02  0.119262D+01 -0.268933D+01  0.169508D+01 -0.784703D+01
      6   0.785279D+01 -0.292249D+01  0.766948D+00  0.573336D+00  0.535525D+01
               221           222           223           224           225 
      1  -0.151401D+02  0.179765D+02  0.525948D+00  0.118096D+02 -0.205247D+02
      2   0.721956D+00  0.560789D+01 -0.844552D+00  0.251521D+01 -0.678806D+01
      3   0.144182D+02 -0.235844D+02  0.318604D+00 -0.143248D+02  0.273128D+02
      4  -0.101677D+02  0.100866D+02 -0.261598D+01  0.433791D+01 -0.601739D+01
      5   0.117138D+02 -0.161650D+02  0.354427D+01 -0.745020D+01  0.111523D+02
      6  -0.218109D+02  0.238891D+02 -0.209641D+01  0.157007D+02 -0.204598D+02
               226           227           228           229           230 
      1  -0.359038D+01  0.147879D+00 -0.774971D+01 -0.919872D+01 -0.537810D+01
      2  -0.133595D+01 -0.616362D+00  0.189464D+01  0.631820D+01  0.524061D+01
      3   0.492633D+01  0.468483D+00  0.585507D+01  0.288052D+01  0.137492D+00
      4  -0.459684D+01 -0.111989D+01 -0.703650D+00 -0.692609D+00  0.505932D+01
      5  -0.220352D+01  0.176001D+01 -0.862607D+00  0.895649D+00 -0.340950D+01
      6  -0.636127D+00  0.964698D+00 -0.286583D+01 -0.372929D+00 -0.307842D+01
               231           232           233           234           235 
      1   0.936518D+00 -0.183651D+02  0.100967D+01 -0.154917D+02  0.346659D+01
      2  -0.467739D+01  0.869289D+01 -0.811588D+00 -0.101570D+02  0.431733D+01
      3   0.374087D+01  0.967217D+01 -0.198079D+00  0.256487D+02 -0.778392D+01
      4  -0.429852D+01 -0.894455D+01 -0.576297D+01  0.229567D+01  0.105023D+02
      5  -0.313177D+01  0.892400D+01  0.469233D+01 -0.275590D+02 -0.119434D+01
      6   0.190323D+01  0.970528D+00  0.620996D+01 -0.149078D+02 -0.588969D+00
               236           237           238           239           240 
      1   0.455180D+01  0.127973D+00  0.830595D+01 -0.255612D+02  0.971862D+00
      2   0.807407D+00 -0.519766D+00  0.512707D+01  0.540815D+02 -0.444216D+01
      3  -0.535921D+01  0.391793D+00 -0.134330D+02 -0.285203D+02  0.347030D+01
      4   0.127612D+02 -0.953269D+00  0.222682D+02  0.592760D+02 -0.822325D+01
      5  -0.102277D+01 -0.471575D-01 -0.576302D+01 -0.475773D+01  0.471067D+01
      6  -0.132332D+01  0.717384D-01 -0.415139D+01 -0.124939D+02  0.688703D+01
               241           242           243           244           245 
      1   0.112459D+01  0.464118D+00 -0.532224D+01  0.565775D+02  0.188818D+02
      2  -0.568098D+00  0.154893D+01  0.377790D+01 -0.333868D+02 -0.964999D+01
      3  -0.556489D+00 -0.201305D+01  0.154433D+01 -0.231907D+02 -0.923183D+01
      4   0.139987D+00  0.556218D+00  0.567307D+01  0.313497D+02  0.178282D+02
      5   0.150267D+01  0.601179D+01 -0.221825D+01 -0.442015D+02 -0.131259D+02
      6   0.139907D+01  0.753524D+01 -0.229031D+01 -0.102899D+02 -0.494014D+01
               246           247           248           249           250 
      1  -0.293756D+02  0.185358D+02  0.113090D+02 -0.632837D+01 -0.449634D+02
      2   0.198163D+02 -0.787841D+01 -0.501472D+01  0.294865D+01  0.325964D+02
      3   0.955938D+01 -0.106574D+02 -0.629427D+01  0.337972D+01  0.123670D+02
      4  -0.154630D+02  0.249694D+02  0.155685D+02 -0.164820D+02 -0.267922D+02
      5   0.336229D+02 -0.150798D+02 -0.159453D+02  0.155461D+02  0.588739D+02
      6   0.775550D+01 -0.785331D+01 -0.696942D+01  0.928899D+01  0.148697D+02
               251           252           253           254           255 
      1  -0.107734D+02  0.316515D+02  0.451646D+02  0.183921D+02  0.185715D+02
      2   0.733799D+01 -0.285594D+02 -0.203997D+02 -0.720112D+01 -0.836312D+01
      3   0.343541D+01 -0.309210D+01 -0.247649D+02 -0.111909D+02 -0.102084D+02
      4  -0.204066D+02  0.278602D+02  0.279261D+02  0.173311D+02  0.982795D+01
      5   0.244345D+02 -0.552735D+02  0.210090D+02  0.687416D+01  0.189355D+02
      6   0.104565D+02 -0.151787D+02  0.499534D+01  0.214803D+01  0.476203D+01
               256           257           258           259           260 
      1   0.225613D+02  0.124340D+02  0.515709D+01  0.406366D+02  0.123025D+02
      2  -0.737826D+01 -0.124109D+01  0.680033D+00 -0.177988D+02 -0.248273D+01
      3  -0.151831D+02 -0.111929D+02 -0.583712D+01 -0.228378D+02 -0.981972D+01
      4   0.247298D+02  0.189865D+02  0.136882D+02  0.240633D+02  0.224934D+02
      5   0.827321D+01  0.122368D+02  0.121298D+02  0.344244D+02  0.189661D+02
      6   0.405166D+01  0.524858D+01  0.612209D+01  0.100055D+02  0.653555D+01
               261           262           263           264           265 
      1   0.252521D+02 -0.152904D+02 -0.121038D+02 -0.105466D+02 -0.151154D+02
      2  -0.125175D+02  0.798288D+01  0.548774D+01  0.358447D+01  0.814960D+01
      3  -0.127346D+02  0.730755D+01  0.661602D+01  0.696217D+01  0.696583D+01
      4   0.226111D+02 -0.772537D+01 -0.239205D+01 -0.229460D+00  0.339384D+01
      5   0.319653D+02 -0.572475D+01 -0.693878D+00 -0.917763D+01  0.181822D+01
      6   0.928770D+01  0.420254D+01  0.144021D+01  0.329448D+01  0.180398D+01
               266           267           268           269           270 
      1  -0.465209D+01 -0.305419D+01 -0.141541D+02 -0.755749D+01 -0.165862D+02
      2   0.263273D+01  0.139405D+01  0.582904D+01  0.189380D+01 -0.118845D+01
      3   0.201936D+01  0.166014D+01  0.832505D+01  0.566370D+01  0.177747D+02
      4  -0.598047D+01 -0.714818D+01  0.263332D+00 -0.126343D+02 -0.110806D+02
      5  -0.717574D+01 -0.984566D+01 -0.396480D+00 -0.125876D+02 -0.287961D+02
      6   0.465595D+01  0.696733D+01  0.135157D+01  0.771393D+01  0.108352D+02
               271           272           273           274           275 
      1   0.144666D+03 -0.425784D+02 -0.156763D+02 -0.398384D+02  0.267397D+02
      2  -0.698969D+02  0.181447D+02  0.867743D+01  0.147686D+02 -0.864129D+01
      3  -0.747690D+02  0.244337D+02  0.699891D+01  0.250698D+02 -0.180984D+02
      4  -0.582300D+02  0.321612D+02  0.592978D+01  0.389785D+02 -0.237186D+02
      5  -0.232175D+02  0.635351D+01  0.124502D+02  0.770777D+01 -0.483898D+01
      6   0.736370D+01 -0.395158D+01 -0.283075D+01 -0.455278D+01  0.289003D+01
               276           277           278           279           280 
      1   0.430199D+01 -0.470550D+01  0.977695D+00  0.117157D+02  0.648428D+02
      2  -0.217092D+01  0.345203D+01 -0.144149D+01 -0.682437D+01 -0.423958D+02
      3  -0.213107D+01  0.125347D+01  0.463791D+00 -0.489138D+01 -0.224470D+02
      4  -0.438275D+01  0.274428D+01 -0.155423D+01 -0.888835D+01 -0.176061D+02
      5  -0.671187D+01  0.174694D+02 -0.897656D+01 -0.453151D+01  0.517229D+02
      6   0.306245D+01 -0.379941D+01  0.308809D+01  0.196788D+01 -0.940952D+01
               281           282           283           284           285 
      1  -0.748644D+01  0.281873D+02  0.644876D+01  0.443835D+01 -0.134852D-01
      2   0.440692D+01 -0.211126D+02 -0.650513D+01 -0.878763D+00 -0.279604D+01
      3   0.307953D+01 -0.707467D+01  0.563723D-01 -0.355959D+01  0.280953D+01
      4   0.979436D+01 -0.107691D+02  0.122500D+02 -0.747589D+01  0.805683D+01
      5  -0.982505D+01  0.393027D+02 -0.201723D+00  0.931875D+01  0.281666D+01
      6   0.417349D+01 -0.814109D+01  0.431163D+01 -0.237963D+01  0.424790D+01
               286           287           288           289           290 
      1   0.432878D+02 -0.980096D+01  0.244291D+02 -0.291746D+01 -0.954213D+01
      2  -0.339489D+02  0.642569D+01 -0.280831D+02  0.331990D+01  0.685332D+01
      3  -0.933891D+01  0.337527D+01  0.365392D+01 -0.402442D+00  0.268881D+01
      4  -0.203501D+02  0.102225D+02 -0.124126D+02 -0.560748D+01  0.476417D+00
      5   0.566788D+02 -0.121621D+02  0.540637D+02  0.292493D+01 -0.224199D+00
      6  -0.130139D+02  0.711025D+01 -0.118322D+02 -0.182739D+00 -0.239604D+01
               291           292           293           294           295 
      1   0.291703D+01 -0.129313D+02 -0.169343D+02  0.227487D+01  0.470977D+00
      2  -0.175236D+01  0.172957D+00  0.363677D+02 -0.301006D+01 -0.190115D+01
      3  -0.116467D+01  0.127584D+02 -0.194333D+02  0.735196D+00  0.143017D+01
      4   0.271397D-01  0.184951D+02 -0.537418D+02  0.658374D+01 -0.214175D+01
      5   0.338868D+01 -0.369541D+01  0.918259D+01 -0.723831D+01  0.992650D+01
      6   0.207538D+00  0.313176D+01 -0.119183D+02  0.677533D+01 -0.185394D+01
               296           297           298           299           300 
      1   0.530165D-03  0.238322D+01 -0.564854D+01 -0.212577D+02 -0.420528D+01
      2   0.150509D+01 -0.307572D+00  0.187845D+02  0.452851D+02  0.664045D+01
      3  -0.150562D+01 -0.207565D+01 -0.131359D+02 -0.240273D+02 -0.243517D+01
      4  -0.103291D+01 -0.555185D+01  0.228768D+02  0.336176D+02  0.792462D+01
      5  -0.591772D+01  0.262906D+01  0.502434D+01  0.544981D+01  0.473792D+01
      6   0.544376D+01 -0.208398D+01  0.999786D+01  0.151763D+02  0.606843D+01
               301           302           303           304           305 
      1  -0.118951D+02 -0.449199D+02 -0.813955D+01 -0.132577D+01 -0.480895D+01
      2   0.252941D+02  0.850907D+02  0.134695D+02  0.203005D+01  0.467193D+01
      3  -0.133990D+02 -0.401708D+02 -0.532998D+01 -0.704281D+00  0.137016D+00
      4   0.207309D+02  0.385119D+02  0.659872D+01  0.402054D+01  0.486775D+01
      5   0.325758D+01  0.572591D+01  0.227641D+01  0.432364D+01  0.373534D+01
      6   0.819335D+01  0.253340D+02  0.120854D+02  0.418556D+01  0.166211D+02
               306           307           308           309           310 
      1  -0.717478D+01 -0.140100D+01  0.713499D+01  0.472611D+01  0.260584D+01
      2   0.975169D+01  0.365043D+01 -0.800904D+01 -0.328117D+01 -0.344182D+01
      3  -0.257690D+01 -0.224943D+01  0.874053D+00 -0.144494D+01  0.835986D+00
      4   0.550380D+01 -0.154051D+02  0.115934D+02  0.964396D+01  0.716395D+01
      5   0.284302D+01 -0.784409D+01  0.489736D+01  0.594456D+01  0.185819D+01
      6   0.659134D+01  0.142390D+02 -0.106358D+02 -0.155640D+02 -0.509272D+01
               311           312           313           314           315 
      1  -0.838994D+01 -0.623774D+01  0.474771D+01 -0.109298D+02 -0.105077D+02
      2   0.123341D+02  0.855710D+01 -0.190581D+01  0.110972D+02  0.323093D+01
      3  -0.394411D+01 -0.231937D+01 -0.284190D+01 -0.167335D+00  0.727681D+01
      4  -0.504863D+01 -0.318684D+01  0.948559D+01 -0.517787D+01 -0.892037D+01
      5  -0.248497D+01 -0.211441D+01  0.622056D+01 -0.332197D+01 -0.606960D+01
      6   0.122626D+02  0.962316D+01 -0.129569D+02  0.162027D+02  0.216678D+02
               316           317           318           319           320 
      1   0.586979D+00 -0.685999D+01  0.458921D+01 -0.347040D+01 -0.727821D+01
      2   0.168349D+01  0.728555D+01 -0.258503D+01  0.384105D+01  0.107790D+02
      3  -0.227047D+01 -0.425560D+00 -0.200418D+01 -0.370650D+00 -0.350081D+01
      4   0.161799D+02  0.111564D+02 -0.101923D+02  0.595008D+01  0.475092D+01
      5  -0.882362D+01 -0.506839D+01  0.682964D+01 -0.148571D+01 -0.258249D+01
      6  -0.143596D+02 -0.105257D+02  0.161246D+02 -0.475807D+01 -0.113444D+02
               321           322           323           324           325 
      1   0.578884D+01  0.491408D+01  0.101498D+02 -0.102887D+02 -0.579271D+01
      2  -0.803866D+01 -0.188800D+01 -0.997566D+01  0.252236D+01  0.176556D+02
      3   0.224981D+01 -0.302608D+01 -0.174186D+00  0.776633D+01 -0.118629D+02
      4  -0.305271D+01 -0.929973D+01 -0.538538D+01  0.924387D+01 -0.214221D+02
      5   0.205209D+01  0.651636D+01  0.373589D+01 -0.694973D+01  0.506031D+01
      6   0.898940D+01  0.128820D+02  0.157561D+02 -0.216303D+02 -0.100262D+02
               326           327           328           329           330 
      1   0.222013D+02 -0.468556D+01  0.118734D+02 -0.462908D+02  0.886202D+01
      2  -0.450458D+02  0.710041D+01 -0.237829D+02  0.852586D+02 -0.143322D+02
      3   0.228445D+02 -0.241485D+01  0.119095D+02 -0.389678D+02  0.547019D+01
      4   0.321305D+02 -0.806903D+01  0.190290D+02 -0.360609D+02  0.677253D+01
      5  -0.566604D+01  0.489322D+01 -0.341761D+01  0.579806D+01 -0.227388D+01
      6   0.159469D+02 -0.645954D+01  0.839198D+01 -0.269354D+02  0.127452D+02
               331           332           333           334           335 
      1  -0.166806D+01  0.594518D+01 -0.770221D+01 -0.639135D+01 -0.536375D+01
      2   0.242015D+01 -0.600213D+01  0.100101D+02 -0.799443D+01 -0.673700D+00
      3  -0.752088D+00  0.569513D-01 -0.230792D+01  0.143858D+02  0.603745D+01
      4  -0.403028D+01  0.533474D+01 -0.533598D+01  0.416983D+01  0.186341D+01
      5   0.422118D+01 -0.367123D+01  0.279700D+01 -0.129071D+02 -0.302587D+01
      6  -0.416665D+01  0.170960D+02 -0.740973D+01 -0.788634D+01 -0.665418D+01
               336           337           338           339           340 
      1   0.167245D+02 -0.229429D+01 -0.243637D+01 -0.229712D-01  0.915822D+01
      2   0.100240D+02  0.932241D+00 -0.151115D+00 -0.261088D+01  0.532049D+01
      3  -0.267486D+02  0.136205D+01  0.258749D+01  0.263385D+01 -0.144787D+02
      4  -0.309308D+01  0.189547D+01  0.201491D+01 -0.157228D+01 -0.179735D+01
      5   0.119700D+02 -0.220426D+01 -0.293391D+01  0.290573D+01  0.893809D+01
      6   0.118630D+02 -0.424641D+01 -0.355314D+01  0.434404D+01  0.494135D+01
               341           342           343           344           345 
      1   0.161987D+01 -0.147680D+02 -0.112114D+01  0.211150D+01  0.463524D+01
      2   0.406924D+00 -0.106936D+02 -0.143641D+00  0.701193D+00  0.277496D+01
      3  -0.202679D+01  0.254616D+02  0.126478D+01 -0.281270D+01 -0.741020D+01
      4  -0.183646D+01  0.263476D+01  0.264564D+01  0.186776D+01  0.223167D+01
      5   0.244482D+01 -0.118409D+02  0.152999D+01  0.321931D+01  0.232127D+01
      6   0.427617D+01 -0.625283D+01  0.369271D+01  0.755237D+00 -0.601788D+00
               346           347           348           349           350 
      1  -0.319285D+00 -0.158270D+02 -0.187753D+02  0.472865D+00 -0.122282D+02
      2  -0.315062D+01  0.101424D+01 -0.541265D+01 -0.560393D+00 -0.196995D+01
      3   0.346991D+01  0.148127D+02  0.241879D+02  0.875279D-01  0.141981D+02
      4   0.421477D+01  0.948178D+01  0.926602D+01  0.295683D+01  0.389443D+01
      5   0.742943D+01  0.106410D+02  0.151167D+02  0.333843D+01  0.700414D+01
      6   0.460533D+01  0.219221D+02  0.239487D+02  0.213746D+01  0.160094D+02
               351           352           353           354           355 
      1  -0.206008D+02  0.266526D+02 -0.124694D+02 -0.202836D+00 -0.154165D+02
      2  -0.596462D+01 -0.176808D-01 -0.829751D+01  0.156609D+01 -0.141196D+02
      3   0.265654D+02 -0.266349D+02  0.207669D+02 -0.136325D+01  0.295361D+02
      4   0.564738D+01 -0.363688D+02  0.351990D+02 -0.349645D+01  0.493452D+02
      5   0.950545D+01  0.976965D+00 -0.441415D+01  0.466355D+01 -0.183732D+00
      6   0.204731D+02 -0.201184D+01  0.678344D+00 -0.113793D+01 -0.194476D-01
               356           357           358           359           360 
      1   0.316874D+01  0.190209D+01  0.779452D+01 -0.303607D+01 -0.279562D+01
      2   0.344647D+02 -0.335891D+01  0.198419D+01 -0.877705D+01  0.402091D+01
      3  -0.376334D+02  0.145683D+01 -0.977871D+01  0.118131D+02 -0.122529D+01
      4  -0.655684D+02  0.261386D+01 -0.165915D+02  0.190515D+02 -0.911269D+01
      5   0.498715D+01 -0.701769D+01  0.589450D+01 -0.950659D+01  0.536234D+01
      6  -0.136875D+01  0.626151D+01 -0.354007D+01  0.874919D+01 -0.308458D+01
               361           362           363           364           365 
      1  -0.136760D+02 -0.723408D+01 -0.870989D+01 -0.546181D+01 -0.785817D+01
      2   0.838431D+01  0.342150D+01  0.460716D+01  0.457557D+00  0.100078D+02
      3   0.529173D+01  0.381259D+01  0.410273D+01  0.500425D+01 -0.214962D+01
      4   0.172957D+01  0.261854D+01 -0.967356D+00  0.841899D+01 -0.114357D+02
      5  -0.107157D+01 -0.267458D+01 -0.185140D+01 -0.130738D+00 -0.511976D+01
      6   0.348452D+01  0.409122D+01  0.536985D+01  0.165937D+01  0.829365D+01
               366           367           368           369           370 
      1  -0.815209D+01 -0.140768D+02 -0.141826D+02 -0.171826D+02  0.719693D+02
      2   0.582697D+01  0.869515D+01  0.693182D+01  0.281459D+01 -0.420091D+02
      3   0.232513D+01  0.538162D+01  0.725081D+01  0.143680D+02 -0.299602D+02
      4  -0.504257D+01  0.498479D+00 -0.541487D+01 -0.835084D+01 -0.368803D+02
      5  -0.486921D+01  0.397569D+01 -0.984271D+01 -0.169958D+02 -0.526279D+02
      6   0.885218D+01  0.149741D+01  0.131131D+02  0.182875D+02  0.121700D+02
               371           372           373           374           375 
      1  -0.210550D+02 -0.315741D+02 -0.273437D+02  0.130145D+02  0.143189D+02
      2   0.116474D+02  0.220618D+02  0.146302D+02 -0.534034D+01 -0.910182D+01
      3   0.940757D+01  0.951224D+01  0.127136D+02 -0.767415D+01 -0.521707D+01
      4   0.205088D+02  0.215662D+02  0.294342D+02 -0.244708D+02 -0.204963D+02
      5   0.204835D+02  0.374263D+02  0.275612D+02 -0.199795D+02 -0.198192D+02
      6  -0.654679D+01 -0.821109D+01 -0.106334D+02  0.918240D+01  0.103472D+02
               376           377           378           379           380 
      1  -0.275030D+02  0.100002D+02  0.216661D+02 -0.163125D+02  0.588779D+01
      2   0.223009D+02 -0.751775D+01 -0.209272D+02  0.662790D+01 -0.677172D-01
      3   0.520203D+01 -0.248241D+01 -0.738981D+00  0.968457D+01 -0.582007D+01
      4   0.208337D+02 -0.136659D+02 -0.185884D+02  0.548217D+01 -0.401778D+01
      5   0.435690D+02 -0.169970D+02 -0.410589D+02 -0.506514D+01  0.307811D+01
      6  -0.106651D+02  0.830704D+01  0.105165D+02 -0.278875D+01  0.989297D+00
               381           382           383           384           385 
      1  -0.879521D+01  0.136286D+02 -0.960046D+01  0.112585D+02 -0.110018D+02
      2   0.177970D+01 -0.640092D+01  0.241736D+01 -0.477232D+00  0.495834D+01
      3   0.701551D+01 -0.722768D+01  0.718310D+01 -0.107813D+02  0.604342D+01
      4   0.411258D+01 -0.198607D+01  0.151075D+02 -0.109837D+02  0.354531D+01
      5  -0.527066D+00  0.303046D+01 -0.965317D+01  0.152083D+02  0.612637D+01
      6  -0.100140D+01  0.121531D+01 -0.747363D+01  0.616654D+01 -0.190284D+01
               386           387           388           389           390 
      1   0.884753D+01 -0.949347D+01  0.123282D+03  0.397296D+02 -0.136390D+02
      2   0.270611D+00 -0.716793D+01 -0.585029D+02 -0.170771D+02  0.679226D+01
      3  -0.911814D+01  0.166614D+02 -0.647792D+02 -0.226525D+02  0.684678D+01
      4  -0.922641D+01  0.877501D+01  0.485172D+02  0.276250D+02 -0.823757D+01
      5   0.873117D+01 -0.244693D+02 -0.156015D+02 -0.752657D+01  0.129507D+02
      6   0.637878D+01 -0.539250D+01 -0.478663D+01 -0.165151D+01  0.170910D+01
               391           392           393           394           395 
      1   0.615221D+02  0.333753D+02 -0.101094D+02 -0.314873D+02 -0.136767D+02
      2  -0.257590D+02 -0.116049D+02  0.452551D+01  0.154438D+02  0.654618D+01
      3  -0.357631D+02 -0.217704D+02  0.558389D+01  0.160435D+02  0.713053D+01
      4   0.457029D+02  0.326565D+02 -0.443560D+01 -0.170315D+02 -0.742616D+01
      5  -0.119843D+02 -0.404437D+01  0.629098D+01  0.230380D+02  0.676557D+01
      6  -0.299089D+01 -0.275223D+01  0.314748D+01  0.419128D+01  0.370021D+01
               396           397           398           399           400 
      1   0.164360D+02  0.488822D+02 -0.126736D+02  0.182044D+02 -0.318388D+02
      2  -0.900644D+01 -0.255691D+02  0.626624D+01 -0.107292D+02  0.154815D+02
      3  -0.742955D+01 -0.233131D+02  0.640736D+01 -0.747515D+01  0.163574D+02
      4   0.694834D+01 -0.169413D+02  0.148187D+02 -0.106427D+02  0.313424D+02
      5  -0.105073D+02  0.233338D+02 -0.109209D+02  0.152247D+02 -0.238587D+02
      6  -0.248251D+01 -0.487377D+01  0.253563D+01 -0.275886D+01  0.606764D+01
               401           402           403           404           405 
      1   0.208227D+02 -0.173185D+02  0.346225D+02 -0.145750D+02  0.183827D+02
      2  -0.855728D+01  0.902851D+01 -0.213663D+02  0.922892D+01 -0.145916D+02
      3  -0.122654D+02  0.828997D+01 -0.132562D+02  0.534608D+01 -0.379118D+01
      4  -0.298175D+02  0.170209D+02 -0.198483D+02  0.156036D+02 -0.174301D+02
      5   0.173125D+02 -0.221159D+02  0.303786D+02 -0.174168D+02  0.339638D+02
      6  -0.673958D+01  0.638373D+01 -0.585104D+01  0.589697D+01 -0.646894D+01
               406           407           408           409           410 
      1  -0.228991D+01  0.476830D+01 -0.448262D+01  0.152847D+02 -0.703727D+01
      2   0.327960D+01 -0.298389D+01  0.317972D+01 -0.338080D+01  0.219254D+02
      3  -0.989682D+00 -0.178440D+01  0.130290D+01 -0.119039D+02 -0.148881D+02
      4   0.407012D+01  0.355229D+01 -0.509419D+00  0.172183D+02  0.365246D+02
      5  -0.484766D+01  0.814953D+00  0.207556D+01  0.485566D+01 -0.361498D+01
      6  -0.296736D+01 -0.101768D+01  0.956573D+00  0.230821D+01  0.146196D+00
               411           412           413           414           415 
      1   0.539056D+01 -0.206002D+02  0.466023D+01 -0.148075D+01  0.244531D+02
      2  -0.634045D+01  0.821295D+01 -0.966320D+01  0.343570D+01 -0.171066D+02
      3   0.949895D+00  0.123872D+02  0.500297D+01 -0.195495D+01 -0.734647D+01
      4  -0.419432D+01 -0.192731D+01 -0.130612D+02  0.926688D+01  0.175452D+02
      5   0.779908D+01  0.372707D+01  0.974268D+01 -0.412966D+01  0.284104D+02
      6   0.512359D+01  0.165366D+01  0.408452D+01 -0.140878D+01  0.945147D+01
               416           417           418           419           420 
      1   0.689128D+01  0.134743D+02  0.687928D+01  0.292077D+01  0.314440D+01
      2  -0.388149D+01 -0.970983D+01 -0.219040D+01  0.343050D+00 -0.197806D+01
      3  -0.300979D+01 -0.376446D+01 -0.468888D+01 -0.326382D+01 -0.116634D+01
      4   0.136384D+02  0.153154D+02  0.200441D+02  0.222525D+02  0.174840D+02
      5   0.152632D+02  0.251776D+02  0.167418D+02  0.185482D+02  0.176910D+02
      6   0.605057D+01  0.765122D+01  0.977552D+01  0.113491D+02  0.131694D+02
               421           422           423 
      1   0.220989D+02  0.522520D+01  0.512085D+01
      2  -0.185511D+02 -0.674086D+01 -0.166471D+02
      3  -0.354776D+01  0.151566D+01  0.115262D+02
      4   0.256895D+02  0.212690D+02  0.292769D+02
      5   0.416706D+02  0.302852D+02  0.558350D+02
      6   0.165427D+02  0.169846D+02  0.227818D+02
 Leave Link  716 at Fri Jul  9 14:09:11 2021, MaxMem= 10737418240 cpu:               2.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.337543D+03 -0.426099D+00 -0.274184D+01
      2  -0.426099D+00  0.270473D+03  0.386287D+00
      3  -0.274184D+01  0.386287D+00  0.251822D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.288743D+00 -0.961394D+00 -0.488757D+02
      2  -0.673168D+00 -0.138768D+02 -0.184804D+01
      3   0.792178D+02 -0.449874D+01  0.144220D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.333862D+01 -0.999373D+02 -0.775783D+01
      2   0.782168D+01  0.194988D+03  0.339014D+00
      3  -0.448305D+01 -0.950504D+02  0.741882D+01
      4   0.324291D+02  0.146525D+02 -0.317921D+02
      5  -0.144308D+02 -0.280192D+02 -0.797698D+01
      6  -0.760931D+01 -0.111460D+02  0.119381D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   141 ND12= 1 LenFil=    5079:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.504341D+01  0.103239D+01  0.897880D+00  0.109584D+01 -0.183619D+01
      2   0.103239D+01 -0.664289D+00  0.340564D-02 -0.183619D+01 -0.665998D+01
      3   0.897880D+00  0.340564D-02  0.156114D+01  0.567217D+00  0.807435D+00
                 6             7             8             9            10 
      1   0.567217D+00  0.269738D+01  0.751425D+00  0.279300D+00  0.927018D+01
      2   0.807435D+00  0.751425D+00  0.729048D+00 -0.369347D+00  0.328669D+01
      3   0.790949D+00  0.279300D+00 -0.369347D+00  0.384536D+01 -0.227776D+00
                11            12            13            14            15 
      1   0.328669D+01 -0.227776D+00  0.973410D+01  0.296958D+01 -0.297254D+01
      2   0.530522D+01 -0.180394D+01  0.296958D+01  0.345525D+00  0.302899D+00
      3  -0.180394D+01  0.145434D+01 -0.297254D+01  0.302899D+00  0.191956D+01
                16            17            18            19            20 
      1  -0.597127D+01 -0.453829D+00  0.288622D+01  0.143055D+02 -0.273611D+01
      2  -0.453829D+00 -0.274443D+01  0.122943D+01 -0.273611D+01  0.266574D+01
      3   0.288622D+01  0.122943D+01 -0.200629D+01  0.500925D+01 -0.130820D+01
                21            22            23            24            25 
      1   0.500925D+01 -0.979720D+01  0.632385D+00  0.330796D+01  0.398878D+01
      2  -0.130820D+01  0.632385D+00 -0.642248D+00 -0.405836D+00  0.255319D+01
      3   0.288238D+01  0.330796D+01 -0.405836D+00 -0.654540D+00 -0.194583D+01
                26            27            28            29            30 
      1   0.255319D+01 -0.194583D+01 -0.662582D+01  0.614171D+00 -0.357167D+01
      2  -0.259654D+01 -0.103545D+00  0.614171D+00  0.741908D+00  0.115496D+01
      3  -0.103545D+00  0.328972D+00 -0.357167D+01  0.115496D+01 -0.334425D+01
                31            32            33            34            35 
      1   0.151127D+01 -0.131863D+01  0.594634D+00 -0.537376D+01  0.133719D+01
      2  -0.131863D+01  0.537325D+01 -0.453222D+00  0.133719D+01  0.770691D+00
      3   0.594634D+00 -0.453222D+00 -0.614093D+00 -0.542716D+01 -0.424938D+00
                36            37            38            39            40 
      1  -0.542716D+01 -0.757815D+01  0.493094D+01  0.106996D+01  0.571512D+01
      2  -0.424938D+00  0.493094D+01 -0.999918D+00 -0.176383D+00 -0.101801D+01
      3  -0.187383D+01  0.106996D+01 -0.176383D+00  0.279764D+01 -0.125712D+00
                41            42            43            44            45 
      1  -0.101801D+01 -0.125712D+00 -0.123188D+00 -0.530885D-01  0.370252D+01
      2  -0.212529D+01  0.859246D+00 -0.530885D-01  0.771236D+00  0.201917D+01
      3   0.859246D+00  0.196492D+01  0.370252D+01  0.201917D+01  0.617659D+00
                46            47            48            49            50 
      1   0.197683D+01 -0.371286D+01  0.596447D+00 -0.614088D+01 -0.113442D+01
      2  -0.371286D+01 -0.601953D+00  0.359047D+00 -0.113442D+01  0.242284D+01
      3   0.596447D+00  0.359047D+00 -0.382429D+01  0.419076D+00 -0.525395D+00
                51            52            53            54            55 
      1   0.419076D+00  0.221401D+01  0.499075D+00 -0.674716D+01  0.244747D+01
      2  -0.525395D+00  0.499075D+00 -0.418452D+00 -0.331089D+01  0.128513D+01
      3  -0.270945D+01 -0.674716D+01 -0.331089D+01  0.895412D+00  0.260850D+00
                56            57            58            59            60 
      1   0.128513D+01  0.260850D+00 -0.126519D+01 -0.647455D+00  0.146106D+01
      2  -0.251926D+01  0.169710D+00 -0.647455D+00  0.104849D+01 -0.227936D+00
      3   0.169710D+00  0.441567D+01  0.146106D+01 -0.227936D+00 -0.113653D+01
                61            62            63            64            65 
      1   0.432357D+01 -0.201172D+01  0.565682D+01 -0.993864D+00 -0.107843D+01
      2  -0.201172D+01  0.962956D+00  0.668789D+00 -0.107843D+01  0.422243D+00
      3   0.565682D+01  0.668789D+00  0.651889D+01  0.140573D+01  0.148537D+01
                66            67            68            69            70 
      1   0.140573D+01  0.173181D+01  0.102906D+01  0.226954D+00 -0.162202D-01
      2   0.148537D+01  0.102906D+01 -0.114714D+01  0.922207D+00 -0.835044D+00
      3   0.659606D+00  0.226954D+00  0.922207D+00  0.423299D+01  0.215120D+01
                71            72            73            74            75 
      1  -0.835044D+00  0.215120D+01 -0.521538D+01  0.940842D+00 -0.328372D-01
      2   0.464153D+01  0.289066D+01  0.940842D+00 -0.182301D+01  0.320068D+01
      3   0.289066D+01  0.797641D+01 -0.328372D-01  0.320068D+01  0.795622D-01
                76            77            78            79            80 
      1   0.160760D+01  0.519667D+00 -0.221631D+00  0.598206D+00  0.230744D+01
      2   0.519667D+00  0.119716D+02  0.162598D+01  0.230744D+01  0.103852D+01
      3  -0.221631D+00  0.162598D+01  0.195963D+01 -0.797130D+00  0.186371D+00
                81            82            83            84            85 
      1  -0.797130D+00  0.497409D+00 -0.292382D+01 -0.193676D+01 -0.119578D+01
      2   0.186371D+00 -0.292382D+01 -0.476065D+01 -0.661933D+00 -0.305870D+01
      3  -0.216175D+01 -0.193676D+01 -0.661933D+00  0.174782D+01  0.227503D+00
                86            87            88            89            90 
      1  -0.305870D+01  0.227503D+00 -0.128969D+01  0.178398D-01  0.256084D+01
      2  -0.782818D+01 -0.133932D+01  0.178398D-01  0.919707D+00 -0.116459D+01
      3  -0.133932D+01 -0.107150D+00  0.256084D+01 -0.116459D+01  0.484234D+00
                91            92            93            94            95 
      1  -0.807083D+00 -0.280340D+01  0.195518D+01 -0.936339D+00  0.291045D+01
      2  -0.280340D+01  0.468539D+01 -0.792493D+00  0.291045D+01 -0.777273D+01
      3   0.195518D+01 -0.792493D+00 -0.175826D+01  0.425277D-01  0.150024D+01
                96            97            98            99           100 
      1   0.425277D-01  0.103250D+01 -0.161634D+00 -0.257496D+01  0.631086D+01
      2   0.150024D+01 -0.161634D+00 -0.815476D+00 -0.118521D+01  0.508039D+00
      3  -0.100863D+00 -0.257496D+01 -0.118521D+01 -0.464723D+00 -0.138723D-01
               101           102           103           104           105 
      1   0.508039D+00 -0.138723D-01  0.104695D+01  0.762504D-01 -0.269160D+00
      2   0.207941D+01  0.277262D+01  0.762504D-01  0.116145D+02 -0.161868D+01
      3   0.277262D+01 -0.301923D+00 -0.269160D+00 -0.161868D+01  0.180378D+01
               106           107           108           109           110 
      1   0.118658D+00  0.236492D+01  0.991815D+00 -0.910349D+01  0.387607D+01
      2   0.236492D+01 -0.109415D+01  0.542314D+00  0.387607D+01 -0.629936D+01
      3   0.991815D+00  0.542314D+00  0.225146D+01 -0.258344D+00 -0.143279D+01
               111           112           113           114           115 
      1  -0.258344D+00  0.993272D+01 -0.385170D+01 -0.195048D+01  0.659365D+01
      2  -0.143279D+01 -0.385170D+01  0.674296D+00 -0.125172D+00 -0.663743D+00
      3  -0.757119D+00 -0.195048D+01 -0.125172D+00  0.188272D+01 -0.287835D+01
               116           117           118           119           120 
      1  -0.663743D+00 -0.287835D+01 -0.150352D+02 -0.269289D+01 -0.498800D+01
      2   0.266258D+01  0.121429D+01 -0.269289D+01 -0.283601D+01 -0.117586D+01
      3   0.121429D+01  0.143244D+01 -0.498800D+01 -0.117586D+01 -0.319716D+01
               121           122           123           124           125 
      1  -0.845993D+01 -0.380628D+00  0.325346D+01 -0.420278D+01  0.251541D+01
      2  -0.380628D+00 -0.417525D+00  0.316598D+00  0.251541D+01  0.239908D+01
      3   0.325346D+01  0.316598D+00 -0.836147D+00  0.147385D+01 -0.318652D+00
               126           127           128           129           130 
      1   0.147385D+01 -0.156443D+01  0.197429D+01  0.560807D+00 -0.771299D+00
      2  -0.318652D+00  0.197429D+01  0.268965D+01  0.388576D+00  0.900803D+00
      3  -0.878168D+00  0.560807D+00  0.388576D+00 -0.416826D+01  0.144382D+01
               131           132           133           134           135 
      1   0.900803D+00  0.144382D+01 -0.473889D+01 -0.203935D+01 -0.556846D+01
      2   0.808212D+00  0.351555D+00 -0.203935D+01 -0.688896D+00  0.673379D+00
      3   0.351555D+00 -0.905005D+00 -0.556846D+01  0.673379D+00 -0.699927D+01
               136           137           138           139           140 
      1   0.728311D+00 -0.115318D+01 -0.127880D+01  0.162814D+01 -0.136567D+01
      2  -0.115318D+01 -0.560360D-01  0.130520D+01 -0.136567D+01 -0.118590D+01
      3  -0.127880D+01  0.130520D+01 -0.369876D+00 -0.469254D-01 -0.133868D+01
               141           142           143           144           145 
      1  -0.469254D-01  0.422477D-01 -0.128845D+01 -0.185938D+01  0.437233D+01
      2  -0.133868D+01 -0.128845D+01 -0.447268D+01  0.267884D+01 -0.236953D+01
      3   0.399573D+01 -0.185938D+01  0.267884D+01 -0.803192D+01 -0.808765D+00
               146           147           148           149           150 
      1  -0.236953D+01 -0.808765D+00 -0.487643D+01  0.634405D+01 -0.110284D+01
      2   0.353686D+01 -0.154577D+01  0.634405D+01 -0.555374D+01 -0.345887D+00
      3  -0.154577D+01 -0.119333D+01 -0.110284D+01 -0.345887D+00 -0.133931D+01
               151           152           153           154           155 
      1  -0.156537D+01 -0.288817D+01 -0.570658D+00  0.115079D+01 -0.272369D+01
      2  -0.288817D+01  0.181795D+00 -0.211458D+01 -0.272369D+01 -0.404661D+00
      3  -0.570658D+00 -0.211458D+01 -0.165351D+01 -0.256906D+01  0.356858D+01
               156           157           158           159           160 
      1  -0.256906D+01 -0.457027D+01 -0.378095D+00  0.454893D+01 -0.252096D+01
      2   0.356858D+01 -0.378095D+00  0.633858D+00 -0.161418D+01  0.427017D+01
      3   0.188819D+01  0.454893D+01 -0.161418D+01  0.522957D+00  0.198893D+01
               161           162           163           164           165 
      1   0.427017D+01  0.198893D+01  0.496199D+01  0.315164D+01  0.611462D+00
      2  -0.158643D+01  0.983959D+00  0.315164D+01  0.156272D+01 -0.303481D+01
      3   0.983959D+00 -0.152267D+01  0.611462D+00 -0.303481D+01 -0.451417D+00
               166           167           168           169           170 
      1   0.534683D+01  0.291431D+01 -0.448388D+01  0.679249D+00 -0.465388D+01
      2   0.291431D+01 -0.448872D+00  0.949834D+00 -0.465388D+01  0.709510D+00
      3  -0.448388D+01  0.949834D+00 -0.178914D+01  0.376783D+00 -0.206933D+01
               171           172           173           174           175 
      1   0.376783D+00  0.349011D+01  0.228217D+00  0.614557D+00  0.246560D+01
      2  -0.206933D+01  0.228217D+00  0.459862D+00  0.248941D+01  0.227470D+01
      3   0.579929D+00  0.614557D+00  0.248941D+01  0.193100D+01  0.290546D+01
               176           177           178           179           180 
      1   0.227470D+01  0.290546D+01 -0.112671D+00  0.248049D+01  0.332101D+01
      2   0.323171D+01 -0.429415D+00  0.248049D+01 -0.849912D+00  0.313960D+01
      3  -0.429415D+00  0.224218D+01  0.332101D+01  0.313960D+01  0.284071D+01
               181           182           183           184           185 
      1   0.232838D-01 -0.478342D+01  0.382913D-01  0.127799D+00 -0.359537D+00
      2  -0.478342D+01 -0.183099D+00 -0.140764D+01 -0.359537D+00 -0.924157D+01
      3   0.382913D-01 -0.140764D+01  0.220454D+00 -0.496408D+00  0.440471D+00
               186           187           188           189           190 
      1  -0.496408D+00 -0.292700D+00 -0.198419D+01  0.296607D+00  0.851879D+01
      2   0.440471D+00 -0.198419D+01  0.907186D-01 -0.358659D+01 -0.151733D+01
      3  -0.206086D+01  0.296607D+00 -0.358659D+01  0.157724D+00  0.225060D+00
               191           192           193           194           195 
      1  -0.151733D+01  0.225060D+00 -0.465416D+01  0.127897D+01 -0.945200D+00
      2   0.544413D+00  0.548060D+00  0.127897D+01 -0.996920D+01 -0.226022D+01
      3   0.548060D+00  0.142652D+01 -0.945200D+00 -0.226022D+01 -0.275678D+01
               196           197           198           199           200 
      1  -0.351522D+01  0.698994D+00 -0.128973D-01 -0.900206D+01 -0.813098D+00
      2   0.698994D+00 -0.155378D+01 -0.286951D+01 -0.813098D+00 -0.894966D+00
      3  -0.128973D-01 -0.286951D+01 -0.637284D+01 -0.127792D+00  0.434322D+00
               201           202           203           204           205 
      1  -0.127792D+00 -0.330885D+01 -0.147121D+01 -0.767542D+00  0.405666D+01
      2   0.434322D+00 -0.147121D+01 -0.883756D+01  0.236891D+01  0.591461D+00
      3  -0.185313D+01 -0.767542D+00  0.236891D+01 -0.225746D+01 -0.358817D+00
               206           207           208           209           210 
      1   0.591461D+00 -0.358817D+00 -0.217830D+01  0.925491D+00  0.246838D+01
      2   0.209600D+01 -0.265208D+01  0.925491D+00 -0.803631D+00 -0.129730D+01
      3  -0.265208D+01  0.740374D+01  0.246838D+01 -0.129730D+01 -0.408336D+01
               211           212           213           214           215 
      1   0.833536D+00 -0.575807D+00 -0.632841D+00  0.217479D+01 -0.407809D+00
      2  -0.575807D+00  0.559113D+00  0.479721D+00 -0.407809D+00  0.657733D+00
      3  -0.632841D+00  0.479721D+00 -0.750943D-01 -0.234080D+01  0.226483D+00
               216           217           218           219           220 
      1  -0.234080D+01  0.266288D+00 -0.383969D+00  0.373322D-01 -0.106156D+01
      2   0.226483D+00 -0.383969D+00  0.273247D+00  0.467976D-02  0.852681D+00
      3   0.385563D+01  0.373322D-01  0.467976D-02 -0.842089D+00 -0.113053D+01
               221           222           223           224           225 
      1   0.852681D+00 -0.113053D+01  0.538302D+00 -0.208394D+00 -0.207448D-01
      2  -0.328837D+01  0.330858D+01 -0.208394D+00  0.223540D+01 -0.265032D+01
      3   0.330858D+01 -0.431578D+01 -0.207448D-01 -0.265032D+01  0.423605D+01
               226           227           228           229           230 
      1  -0.138671D+01 -0.552424D+00 -0.960264D+00 -0.149015D+01 -0.731989D-01
      2  -0.552424D+00 -0.396090D+00  0.149894D+00 -0.731989D-01  0.893333D+00
      3  -0.960264D+00  0.149894D+00 -0.920975D+00 -0.658409D-01 -0.752288D+00
               231           232           233           234           235 
      1  -0.658409D-01 -0.340099D+01 -0.467390D+00  0.718922D+00  0.737721D+00
      2  -0.752288D+00 -0.467390D+00 -0.110339D+01  0.108084D+01  0.925717D+00
      3  -0.579299D+00  0.718922D+00  0.108084D+01 -0.557200D+01  0.240560D-01
               236           237           238           239           240 
      1   0.925717D+00  0.240560D-01  0.278159D+01  0.190911D+01 -0.696741D+00
      2   0.853042D+00 -0.106280D+00  0.190911D+01  0.902723D+01 -0.123081D+01
      3  -0.106280D+00 -0.229804D+00 -0.696741D+00 -0.123081D+01  0.776224D+00
               241           242           243           244           245 
      1   0.179815D+00 -0.331020D-02  0.139959D+00  0.606946D+01  0.213812D+01
      2  -0.331020D-02  0.318980D-01  0.957474D+00  0.213812D+01  0.124765D+01
      3   0.139959D+00  0.957474D+00 -0.457451D+00 -0.351885D+01 -0.109769D+01
               246           247           248           249           250 
      1  -0.351885D+01  0.255463D+01  0.194112D+01 -0.124492D+01 -0.594778D+01
      2  -0.109769D+01  0.194112D+01  0.122189D+01 -0.144376D+01 -0.184887D+01
      3   0.257484D+01 -0.124492D+01 -0.144376D+01  0.142460D+01  0.510520D+01
               251           252           253           254           255 
      1  -0.184887D+01  0.510520D+01  0.430061D+01  0.206212D+01  0.187337D+01
      2  -0.169921D+01  0.230100D+01  0.206212D+01  0.123036D+01  0.663487D+00
      3   0.230100D+01 -0.497243D+01  0.187337D+01  0.663487D+00  0.154125D+01
               256           257           258           259           260 
      1   0.285058D+01  0.185001D+01  0.840015D+00  0.422218D+01  0.156685D+01
      2   0.185001D+01  0.156803D+01  0.115767D+01  0.156685D+01  0.189544D+01
      3   0.840015D+00  0.115767D+01  0.118590D+01  0.306902D+01  0.176017D+01
               261           262           263           264           265 
      1   0.306902D+01 -0.211681D+01 -0.133822D+01 -0.103166D+01 -0.177578D+01
      2   0.176017D+01 -0.133822D+01 -0.466474D+00 -0.242512D+00 -0.167905D+00
      3   0.301482D+01 -0.103166D+01 -0.242512D+00 -0.121150D+01 -0.795755D-01
               266           267           268           269           270 
      1  -0.167905D+00 -0.795755D-01 -0.141374D+01 -0.198245D+00 -0.428956D+00
      2  -0.868114D+00 -0.951085D+00 -0.198245D+00 -0.164896D+01 -0.155981D+01
      3  -0.951085D+00 -0.119587D+01 -0.428956D+00 -0.155981D+01 -0.365955D+01
               271           272           273           274           275 
      1   0.134484D+02 -0.430291D+01 -0.165177D+01 -0.418153D+01  0.304505D+01
      2  -0.430291D+01  0.242173D+01  0.361827D+00  0.304505D+01 -0.187441D+01
      3  -0.165177D+01  0.361827D+00  0.755481D+00  0.591271D+00 -0.400613D+00
               276           277           278           279           280 
      1   0.591271D+00 -0.522803D+00  0.289535D+00  0.130724D+01  0.841443D+01
      2  -0.400613D+00  0.289535D+00 -0.168914D+00 -0.807602D+00 -0.133591D+01
      3  -0.593172D+00  0.130724D+01 -0.807602D+00 -0.363965D+00  0.398012D+01
               281           282           283           284           285 
      1  -0.133591D+01  0.398012D+01  0.356796D+00  0.137191D+01 -0.663772D-01
      2   0.706088D+00 -0.865199D+00  0.137191D+01 -0.903801D+00  0.858802D+00
      3  -0.865199D+00  0.311712D+01 -0.663772D-01  0.858802D+00  0.330345D+00
               286           287           288           289           290 
      1   0.714363D+01 -0.179016D+01  0.493332D+01 -0.412393D+00 -0.105365D+01
      2  -0.179016D+01  0.107677D+01 -0.106941D+01 -0.105365D+01 -0.578736D+00
      3   0.493332D+01 -0.106941D+01  0.519724D+01  0.559827D-01  0.626643D-01
               291           292           293           294           295 
      1   0.559827D-01 -0.277245D+01  0.189546D+01 -0.124076D+00  0.355021D+00
      2   0.626643D-01  0.189546D+01 -0.760235D+01  0.896494D+00 -0.305074D+00
      3   0.551793D-01 -0.124076D+00  0.896494D+00 -0.898859D+00  0.780204D+00
               296           297           298           299           300 
      1  -0.305074D+00  0.780204D+00  0.273599D+01  0.339409D+01  0.101460D+01
      2   0.141076D+00 -0.796430D+00  0.339409D+01  0.622742D+01  0.114542D+01
      3  -0.796430D+00  0.405235D+00  0.101460D+01  0.114542D+01  0.587631D+00
               301           302           303           304           305 
      1   0.228513D+01  0.316816D+01  0.700995D+00  0.518766D+00  0.687566D+00
      2   0.316816D+01  0.108863D+02  0.167322D+01  0.687566D+00  0.911411D+00
      3   0.700995D+00  0.167322D+01  0.106526D+01  0.444544D+00  0.183639D+01
               306           307           308           309           310 
      1   0.444544D+00 -0.312593D+01  0.151465D+01  0.162009D+01  0.678210D+00
      2   0.183639D+01  0.151465D+01 -0.132835D+01 -0.102412D+01 -0.762207D+00
      3   0.680378D+00  0.162009D+01 -0.102412D+01 -0.175294D+01 -0.506715D+00
               311           312           313           314           315 
      1  -0.762207D+00 -0.506715D+00  0.170465D+01 -0.103654D+01 -0.165469D+01
      2   0.183187D+01  0.122882D+01 -0.103654D+01  0.215502D+01  0.155177D+01
      3   0.122882D+01  0.871223D+00 -0.165469D+01  0.155177D+01  0.274812D+01
               316           317           318           319           320 
      1   0.334758D+01  0.139600D+01 -0.166660D+01  0.392809D+00  0.726298D+00
      2   0.139600D+01  0.126544D+01 -0.101548D+01  0.726298D+00  0.162351D+01
      3  -0.166660D+01 -0.101548D+01  0.184616D+01 -0.451639D+00 -0.115836D+01
               321           322           323           324           325 
      1  -0.451639D+00 -0.159009D+01 -0.106383D+01  0.163610D+01 -0.259090D+01
      2  -0.115836D+01 -0.106383D+01 -0.202690D+01  0.152141D+01  0.321447D+01
      3   0.794173D+00  0.163610D+01  0.152141D+01 -0.278342D+01 -0.102583D+01
               326           327           328           329           330 
      1   0.321447D+01 -0.102583D+01  0.208637D+01 -0.297113D+01  0.745273D+00
      2  -0.618522D+01  0.123916D+01 -0.297113D+01  0.108577D+02 -0.181928D+01
      3   0.123916D+01 -0.618130D+00  0.745273D+00 -0.181928D+01  0.112938D+01
               331           332           333           334           335 
      1  -0.521038D+00  0.731549D+00 -0.426857D+00  0.284432D+01  0.993029D+00
      2   0.731549D+00 -0.109486D+01  0.187217D+01  0.993029D+00  0.773339D+00
      3  -0.426857D+00  0.187217D+01 -0.765302D+00 -0.254439D+01 -0.116490D+01
               336           337           338           339           340 
      1  -0.254439D+01  0.916083D+00  0.565133D+00 -0.502590D+00 -0.228549D+01
      2  -0.116490D+01  0.565133D+00  0.567687D+00 -0.431899D+00 -0.334163D+00
      3   0.399792D+01 -0.502590D+00 -0.431899D+00 -0.278221D+00  0.228907D+01
               341           342           343           344           345 
      1  -0.334163D+00  0.228907D+01 -0.257742D+00 -0.464367D+00 -0.206447D+00
      2  -0.660823D+00  0.872637D-01 -0.464367D+00 -0.280539D+00 -0.157671D-01
      3   0.872637D-01 -0.355905D+01 -0.206447D+00 -0.157671D-01  0.857489D+00
               346           347           348           349           350 
      1  -0.107763D+01 -0.734584D+00 -0.103116D+01 -0.533178D+00 -0.187342D+00
      2  -0.734584D+00 -0.327885D+01 -0.329493D+01 -0.187342D+00 -0.232860D+01
      3  -0.103116D+01 -0.329493D+01 -0.432916D+01  0.966001D-01 -0.266249D+01
               351           352           353           354           355 
      1   0.966001D-01 -0.486195D+01  0.296513D+01  0.406769D-01  0.517131D+01
      2  -0.266249D+01  0.296513D+01 -0.326266D+01  0.345605D+00 -0.507212D+01
      3  -0.407014D+01  0.406769D-01  0.345605D+00 -0.243369D+00 -0.279987D+00
               356           357           358           359           360 
      1  -0.507212D+01 -0.279987D+00 -0.212188D+01  0.180477D+01 -0.476873D+00
      2   0.790657D+01 -0.173672D+00  0.180477D+01 -0.215136D+01  0.128495D+01
      3  -0.173672D+00  0.981068D+00 -0.476873D+00  0.128495D+01 -0.651859D+00
               361           362           363           364           365 
      1   0.233738D+01  0.670804D+00  0.889950D+00  0.136916D+01 -0.337190D+00
      2   0.670804D+00  0.551315D+00  0.770333D+00 -0.337190D+00  0.226586D+01
      3   0.889950D+00  0.770333D+00  0.103583D+01  0.128677D+00  0.137821D+01
               366           367           368           369           370 
      1   0.128677D+00  0.207939D+01  0.805305D+00  0.149981D+00 -0.810723D+01
      2   0.137821D+01  0.805305D+00  0.168732D+01  0.233929D+01  0.260097D+01
      3   0.124929D+01  0.149981D+00  0.233929D+01  0.378831D+01  0.405393D+01
               371           372           373           374           375 
      1   0.260097D+01  0.405393D+01  0.380859D+01 -0.230265D+01 -0.231849D+01
      2  -0.146106D+01 -0.177610D+01 -0.230265D+01  0.209771D+01  0.184309D+01
      3  -0.177610D+01 -0.294093D+01 -0.231849D+01  0.184309D+01  0.171652D+01
               376           377           378           379           380 
      1   0.387512D+01 -0.163509D+01 -0.373094D+01  0.212186D+01 -0.941350D+00
      2  -0.163509D+01  0.119278D+01  0.150433D+01 -0.941350D+00  0.819127D+00
      3  -0.373094D+01  0.150433D+01  0.370472D+01  0.997656D+00 -0.575711D+00
               381           382           383           384           385 
      1   0.997656D+00 -0.156797D+01  0.613437D+00 -0.647095D+00  0.141766D+01
      2  -0.575711D+00  0.613437D+00 -0.212204D+01  0.142738D+01 -0.438977D+00
      3   0.433449D+00 -0.647095D+00  0.142738D+01 -0.188687D+01 -0.256781D+00
               386           387           388           389           390 
      1  -0.438977D+00 -0.256781D+00 -0.110218D+02 -0.384325D+01  0.134614D+01
      2   0.138319D+01 -0.138912D+01 -0.384325D+01 -0.204805D+01  0.622926D+00
      3  -0.138912D+01  0.333582D+01  0.134614D+01  0.622926D+00 -0.847770D+00
               391           392           393           394           395 
      1  -0.609589D+01 -0.359190D+01  0.113933D+01  0.305915D+01  0.150759D+01
      2  -0.359190D+01 -0.271068D+01  0.342473D+00  0.150759D+01  0.598747D+00
      3   0.113933D+01  0.342473D+00 -0.471886D+00 -0.181200D+01 -0.490960D+00
               396           397           398           399           400 
      1  -0.181200D+01 -0.450381D+01  0.136877D+01 -0.190780D+01  0.315519D+01
      2  -0.490960D+00  0.136877D+01 -0.108478D+01  0.843362D+00 -0.250064D+01
      3   0.849475D+00 -0.190780D+01  0.843362D+00 -0.112696D+01  0.196867D+01
               401           402           403           404           405 
      1  -0.250064D+01  0.196867D+01 -0.368037D+01  0.169454D+01 -0.235300D+01
      2   0.259829D+01 -0.147836D+01  0.169454D+01 -0.138376D+01  0.150470D+01
      3  -0.147836D+01  0.190227D+01 -0.235300D+01  0.150470D+01 -0.297323D+01
               406           407           408           409           410 
      1   0.415786D+00 -0.100906D+01  0.106385D+01 -0.309646D+01 -0.179650D+01
      2  -0.100906D+01 -0.180375D-01 -0.144424D+00 -0.179650D+01 -0.498359D+01
      3   0.106385D+01 -0.144424D+00  0.126969D+00 -0.376015D+00  0.695123D+00
               411           412           413           414           415 
      1  -0.376015D+00  0.287737D+01 -0.646075D-01 -0.265397D+00 -0.356121D+01
      2   0.695123D+00 -0.646075D-01  0.149736D+01 -0.121692D+01 -0.146489D+01
      3  -0.939679D+00 -0.265397D+00 -0.121692D+01  0.569800D+00 -0.238432D+01
               416           417           418           419           420 
      1  -0.146489D+01 -0.238432D+01 -0.208801D+01 -0.208252D+01 -0.157593D+01
      2  -0.110533D+01 -0.142401D+01 -0.208252D+01 -0.256730D+01 -0.191596D+01
      3  -0.142401D+01 -0.195679D+01 -0.157593D+01 -0.191596D+01 -0.191044D+01
               421           422           423 
      1  -0.475067D+01 -0.245240D+01 -0.384820D+01
      2  -0.245240D+01 -0.235000D+01 -0.324275D+01
      3  -0.384820D+01 -0.324275D+01 -0.592518D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.739051D+01  0.339472D+00 -0.389845D+01  0.308377D+01  0.751213D+01
      2   0.141212D+01  0.280328D+01  0.116521D+02  0.902220D+01  0.478757D+01
      3  -0.182183D+02  0.397051D+01  0.276103D+01  0.159188D+02  0.221689D+02
                 6             7             8             9            10 
      1  -0.546788D+01  0.208327D+01  0.636088D+01 -0.126921D+02  0.462568D+01
      2   0.454523D+01 -0.908555D+01 -0.310355D+01  0.243014D+02 -0.186571D+02
      3  -0.232231D+01  0.132464D+01  0.123485D+01  0.142000D+01  0.702425D+01
                11            12            13            14            15 
      1   0.152357D+02 -0.109502D+01  0.242780D+02 -0.392290D+01 -0.410581D+01
      2  -0.133847D+02  0.274101D+01 -0.363951D+02 -0.561719D+01  0.106790D+02
      3  -0.126614D+02  0.608667D+01  0.562291D+01  0.820659D+01 -0.103316D+02
                16            17            18            19            20 
      1   0.204697D+01 -0.791212D+01  0.100769D+02 -0.696083D+01  0.109531D+02
      2   0.763614D+01  0.129864D+01 -0.178622D+02 -0.270432D+02  0.127156D+01
      3  -0.388259D+01  0.546515D+01  0.222437D+01  0.157024D+02 -0.103735D+02
                21            22            23            24            25 
      1  -0.605325D+01 -0.835023D+00 -0.746846D+00 -0.112484D+01  0.376885D+01
      2  -0.564291D+01  0.278142D+02 -0.106188D+02 -0.142483D+02 -0.318940D+02
      3   0.584278D+01 -0.879218D+00  0.190490D+01  0.115199D+02  0.479554D+01
                26            27            28            29            30 
      1  -0.635894D+01 -0.309215D+01 -0.156263D+01  0.286340D+01 -0.352481D+01
      2  -0.567947D+01  0.575027D+01 -0.734592D+00  0.160139D+01 -0.661468D+01
      3   0.148880D+02 -0.301970D+01  0.386111D+01 -0.625924D+01 -0.280159D+00
                31            32            33            34            35 
      1   0.531682D+00  0.101719D+02 -0.561788D+01 -0.908278D+01  0.145308D+01
      2  -0.305317D+01  0.440471D+01 -0.568572D+01 -0.188208D+02 -0.316114D+01
      3   0.135516D+02 -0.288786D+02 -0.696725D+00  0.510063D+00 -0.632610D+01
                36            37            38            39            40 
      1  -0.680191D+00 -0.385967D+01  0.395565D+00  0.257576D+01  0.536891D+00
      2   0.566360D+00 -0.237948D+01  0.320098D+01  0.190517D+02  0.221853D+01
      3   0.902355D+01 -0.212931D+02 -0.236860D+01 -0.136839D-01  0.151009D+01
                41            42            43            44            45 
      1   0.259311D+01 -0.135723D+01  0.342764D+01  0.354898D+01 -0.233603D+01
      2   0.527984D+01  0.112017D+02  0.197771D+02  0.120449D+02  0.597323D+01
      3   0.155787D+02 -0.560317D+01 -0.153275D+01 -0.504018D+01 -0.142721D+02
                46            47            48            49            50 
      1   0.497578D+01 -0.292973D+00  0.392312D+01 -0.192678D+01 -0.358330D+01
      2   0.613740D+01 -0.138843D+01 -0.195408D+02 -0.199164D+01 -0.428036D+01
      3   0.259220D+02 -0.424997D+01 -0.168548D+01 -0.978012D+00 -0.164252D+02
                51            52            53            54            55 
      1   0.264344D+01  0.725937D+01  0.756737D+01  0.136428D+01  0.129728D+01
      2  -0.130950D+02 -0.401122D+02 -0.173540D+02  0.689022D-01 -0.849761D+01
      3   0.448350D+01  0.442733D+00  0.339736D+01  0.894134D+01  0.168851D+02
                56            57            58            59            60 
      1  -0.108659D+02  0.722334D+00 -0.977847D+01 -0.400821D+01 -0.380761D+01
      2  -0.298156D+01  0.157843D+02  0.158894D+02  0.531038D+01 -0.409355D+01
      3   0.611306D+01 -0.146550D+01  0.263817D+01  0.226270D+01  0.257925D+01
                61            62            63            64            65 
      1  -0.125391D+02  0.852178D+01 -0.465341D+01 -0.766242D+01 -0.515704D+01
      2   0.589659D+01  0.548195D+01  0.644602D+01  0.215983D+02  0.702161D+01
      3   0.235827D+01 -0.581797D+01  0.579381D+01 -0.127994D+02 -0.180426D+01
                66            67            68            69            70 
      1  -0.749288D+00  0.580522D+01 -0.100842D+02  0.290621D+01 -0.738618D+01
      2   0.453290D+01  0.575531D+00  0.416777D+01  0.712422D+01  0.125647D+01
      3  -0.826634D+00  0.218895D+00  0.604205D+01 -0.102764D+02  0.148619D+00
                71            72            73            74            75 
      1   0.105244D+02 -0.697955D+01  0.199433D+02 -0.126661D+02  0.105210D+02
      2   0.790493D+01  0.101464D+02  0.519778D-02 -0.270758D+01  0.188207D+01
      3  -0.628131D+01 -0.175089D+01 -0.201383D+02  0.245293D+01 -0.784525D+01
                76            77            78            79            80 
      1   0.610814D+01  0.386502D+02  0.286267D+01  0.101580D+02  0.715779D+01
      2  -0.826220D+01  0.556907D+01  0.541307D+01  0.380494D+01  0.506683D+01
      3  -0.285330D-01 -0.314712D+02 -0.563367D+01 -0.130013D+02  0.211643D+01
                81            82            83            84            85 
      1   0.131781D+02  0.274823D+01 -0.112339D+01 -0.127135D+02 -0.788958D+01
      2  -0.121811D+01 -0.274194D+01  0.414953D+01  0.610194D+01  0.162885D+01
      3  -0.131373D+02  0.685552D+01 -0.172529D+02 -0.742855D+01 -0.591448D+00
                86            87            88            89            90 
      1  -0.117370D+02 -0.455155D+01 -0.153953D+02  0.730828D+01 -0.103971D+02
      2  -0.521120D+00  0.507932D+00  0.103672D+01  0.114103D+01 -0.313236D+01
      3  -0.502296D+01  0.367382D+01 -0.686969D+01  0.579329D+00  0.150080D+02
                91            92            93            94            95 
      1  -0.277517D+01 -0.309707D+00  0.128582D+02 -0.717067D+01  0.110824D+02
      2  -0.222027D+01 -0.435814D+01  0.554504D+01 -0.560329D+00 -0.762981D+00
      3  -0.755798D+01 -0.174174D+02  0.791687D+01 -0.245901D+00  0.542715D+01
                96            97            98            99           100 
      1  -0.474802D+01  0.160171D+02  0.752423D+01  0.105522D+02 -0.204226D+02
      2  -0.658537D+00  0.177137D-01 -0.171313D+01 -0.322465D+01  0.471849D+01
      3   0.272464D+01  0.590159D+01  0.321858D+00 -0.149305D+02  0.219330D+02
               101           102           103           104           105 
      1  -0.108494D+02 -0.103372D+02  0.471828D+01 -0.376978D+02  0.389938D+01
      2   0.454372D+01  0.192863D+01  0.675808D+01  0.689791D+01 -0.464019D+01
      3   0.194004D+01  0.621139D+01  0.473177D+00  0.310294D+02 -0.536018D+01
               106           107           108           109           110 
      1  -0.102136D+02  0.510488D+01 -0.148965D+02 -0.974348D+00  0.138624D+02
      2   0.487056D+01 -0.546833D+01  0.964672D+00 -0.185638D+02  0.108828D+02
      3   0.138996D+02  0.287375D+01  0.145040D+02 -0.711313D+01 -0.152074D+02
               111           112           113           114           115 
      1  -0.286249D+00  0.251457D+02  0.117152D+01 -0.298316D+01 -0.413145D+01
      2  -0.752381D+00  0.311694D+02 -0.948569D+01 -0.955750D+01  0.657044D+01
      3  -0.565156D+01  0.205990D+01 -0.998227D+01 -0.711188D+01  0.774914D+00
               116           117           118           119           120 
      1  -0.760578D+01 -0.101889D+02  0.992683D+01  0.111021D+02  0.549110D+01
      2  -0.104664D+01 -0.172822D+02 -0.297011D+02 -0.439731D+01 -0.527526D+01
      3   0.516912D+01 -0.171594D+01 -0.143919D+02 -0.117650D+02 -0.511700D+01
               121           122           123           124           125 
      1  -0.262743D+01  0.192234D+01 -0.246029D+01 -0.552937D+01 -0.654253D+01
      2  -0.262160D+02 -0.800669D+01  0.173381D+02 -0.308364D+02  0.716379D+01
      3   0.182262D+01  0.760715D+00  0.109498D+02 -0.236346D+01  0.145579D+02
               126           127           128           129           130 
      1   0.483593D+01 -0.507614D+01 -0.116263D+02 -0.511723D-01 -0.108492D+02
      2   0.800111D+01 -0.100562D+02  0.478616D+01  0.180675D+02 -0.142332D+02
      3   0.164681D+01 -0.131443D+02  0.715699D+01  0.133732D+01  0.399901D+01
               131           132           133           134           135 
      1   0.348647D+01 -0.434586D+01  0.143539D+02  0.786499D+01  0.535632D+01
      2   0.527414D+01  0.361381D+01  0.354167D+01 -0.639287D+01  0.695357D+01
      3  -0.190349D+01  0.197024D+01 -0.391823D+01 -0.525664D+01 -0.519966D+01
               136           137           138           139           140 
      1   0.836031D+01 -0.546201D+01  0.111100D+01  0.695491D+01  0.120281D+02
      2   0.226633D+02 -0.747614D+01  0.439748D+01 -0.170212D+01  0.443306D+01
      3   0.116819D+02 -0.202423D+01  0.747124D+00 -0.861836D+00 -0.760439D+01
               141           142           143           144           145 
      1   0.350307D+01  0.817235D+01  0.110938D+02  0.776222D+01  0.466496D+01
      2  -0.971942D+01  0.258303D+01 -0.855895D+01  0.105129D+02  0.467369D+01
      3  -0.100970D+02 -0.870829D-01 -0.635432D+01  0.134109D+01  0.220274D+01
               146           147           148           149           150 
      1   0.565924D+01  0.225561D+01  0.681628D+01 -0.310382D+00  0.132572D+00
      2   0.561589D+01  0.996202D+01 -0.292727D+01  0.220564D+01  0.794432D+01
      3   0.398113D+01 -0.108342D+02  0.166189D+02 -0.661571D+01 -0.442375D+01
               151           152           153           154           155 
      1  -0.306435D+01  0.102385D+02  0.594177D+01 -0.420540D+01 -0.314549D+01
      2  -0.317122D+01  0.157715D+02  0.157956D+02  0.974004D+01 -0.141951D+02
      3  -0.120897D+02 -0.599700D+01 -0.116939D+02 -0.164538D+02 -0.681852D+01
               156           157           158           159           160 
      1   0.503099D+01 -0.572504D+01  0.151442D+01 -0.548677D+01  0.732333D+01
      2  -0.293012D+01 -0.190409D+02  0.832280D+01 -0.116204D+02 -0.855302D+01
      3   0.180507D+02 -0.503401D+01  0.433039D+01 -0.378139D+01  0.224590D+02
               161           162           163           164           165 
      1  -0.108205D+00  0.282987D+01  0.719073D+00 -0.147432D+01 -0.160898D+01
      2  -0.130197D+02  0.472829D+01 -0.276409D+01  0.193582D+02  0.493255D+01
      3  -0.363710D+01  0.847080D+01  0.185522D+02  0.590372D+01 -0.183699D+02
               166           167           168           169           170 
      1  -0.210187D+01 -0.103564D+01 -0.320734D+01 -0.326940D+01  0.102445D+00
      2   0.300453D+02 -0.379484D+01  0.102424D+02 -0.344238D+01  0.110229D+02
      3   0.186586D+02 -0.376642D+01  0.609368D+01 -0.293984D+02  0.400831D+01
               171           172           173           174           175 
      1  -0.469857D+00 -0.101266D+01  0.348380D+01  0.834763D+00  0.256607D+01
      2  -0.237882D+01  0.548849D+01 -0.984064D+01 -0.543924D+01 -0.733495D+01
      3  -0.115164D+02 -0.201799D+01 -0.118890D+00  0.100862D+02  0.139579D+02
               176           177           178           179           180 
      1  -0.945630D+01  0.206453D+01  0.601346D+01  0.121354D+02  0.253493D+01
      2   0.122459D+02 -0.729104D+01 -0.212490D+02 -0.139501D+02 -0.559653D+01
      3   0.147631D+02 -0.103073D+02  0.120917D+02 -0.986670D+01  0.110332D+02
               181           182           183           184           185 
      1  -0.748625D-01  0.129253D+02  0.993937D+00 -0.254460D+02 -0.119476D+01
      2   0.469738D+02  0.921759D+00  0.288789D+02  0.309800D+01 -0.187853D+01
      3  -0.269861D+01 -0.178187D+02  0.616621D+00  0.671294D+02 -0.111231D+01
               186           187           188           189           190 
      1  -0.443035D+02 -0.554760D+00  0.228628D+02 -0.187065D+01  0.442687D+01
      2   0.780642D-01 -0.503120D+02  0.192933D+01 -0.232596D+02  0.292112D+01
      3   0.869128D+01 -0.138612D+01 -0.169625D+02 -0.832164D+00 -0.102701D+02
               191           192           193           194           195 
      1  -0.531534D+01  0.131376D+01 -0.748315D+01  0.700436D+01 -0.108529D+02
      2  -0.561634D+00  0.591299D+01 -0.822078D+00  0.841052D+00 -0.258279D+01
      3  -0.844157D+01 -0.251923D+01  0.107501D+02  0.707145D+01  0.660793D+01
               196           197           198           199           200 
      1  -0.108330D+01  0.973176D+01 -0.491319D+01 -0.492108D+01 -0.633600D+01
      2  -0.771969D+01 -0.432904D+00  0.509602D+00  0.382737D+01  0.313075D+00
      3  -0.135237D+01  0.524500D+01  0.128577D+01  0.950731D+01 -0.958758D+01
               201           202           203           204           205 
      1  -0.230079D+01 -0.828803D+01 -0.505336D+01 -0.905229D+01  0.777540D+00
      2   0.760548D+01 -0.587253D+00  0.157829D+01  0.245751D+01 -0.651111D+01
      3   0.237803D+01  0.792489D+01 -0.559630D+01  0.687615D+01  0.195699D+01
               206           207           208           209           210 
      1   0.108611D+02  0.560283D+01  0.162777D+01 -0.273419D+01  0.277411D+00
      2  -0.491174D-03 -0.255904D+00  0.103905D+02 -0.422093D+01 -0.885783D+01
      3   0.648316D+01 -0.681377D+00 -0.177856D+01  0.106446D-01  0.321832D+01
               211           212           213           214           215 
      1  -0.164371D+01  0.994307D+00  0.938752D+00  0.160889D+01  0.222854D+01
      2  -0.580600D+01  0.252117D+01  0.165353D+01 -0.118302D+02  0.871489D+00
      3   0.301667D+01 -0.807824D+00 -0.715068D+00  0.358417D+01  0.738517D+00
               216           217           218           219           220 
      1  -0.236129D+01 -0.765881D+00  0.172395D+01 -0.471509D+00  0.232407D+01
      2   0.936461D+01 -0.984106D-01  0.759363D+00 -0.147189D+01  0.205878D+01
      3  -0.234736D+01  0.919675D+00 -0.173762D+01 -0.263681D+00  0.870745D+00
               221           222           223           224           225 
      1  -0.858263D+01  0.544235D+01 -0.213719D+00  0.750096D+01 -0.510517D+01
      2   0.366293D+01 -0.498975D+01 -0.263011D+01 -0.510547D+01  0.758588D+01
      3   0.556297D+01 -0.582719D+01 -0.583464D+00 -0.503704D+01  0.525420D+01
               226           227           228           229           230 
      1   0.386017D+01 -0.291442D-01  0.247799D+01 -0.554021D+00  0.724507D+00
      2  -0.960129D+01  0.466117D-01 -0.649172D+01 -0.246663D+01 -0.441588D+01
      3  -0.214941D+01  0.151016D+00 -0.315759D+01 -0.169106D+01 -0.315462D+01
               231           232           233           234           235 
      1   0.199399D+01 -0.120015D+01  0.138546D+01  0.133951D+02 -0.145806D+01
      2  -0.251885D+01 -0.511933D+01  0.389791D+01 -0.257338D+02  0.223286D+01
      3   0.301863D+01 -0.477641D+01  0.170535D+01 -0.337917D+01 -0.211171D+01
               236           237           238           239           240 
      1  -0.941815D+00  0.289646D+00  0.292209D+00 -0.748972D+01 -0.315499D+01
      2   0.466425D+00 -0.229110D+00 -0.314240D+00 -0.549544D+01  0.324138D+01
      3  -0.904409D+00  0.442755D+00  0.446113D+01 -0.302818D+02  0.209826D+01
               241           242           243           244           245 
      1   0.145147D+00 -0.113268D+01  0.414256D+00  0.197110D+01 -0.870100D+00
      2  -0.589520D+00  0.344296D+01 -0.257165D+01 -0.121246D+02 -0.382890D+01
      3   0.922851D+00 -0.982101D+00 -0.335288D+01 -0.392588D+01 -0.556945D+01
               246           247           248           249           250 
      1  -0.301744D+01  0.411994D+00  0.249954D+00 -0.146596D+01 -0.512401D+01
      2   0.126080D+02 -0.394165D+01 -0.581612D+01  0.698086D+01  0.187820D+02
      3   0.140693D+01 -0.468738D+01 -0.391982D+01  0.552031D+01  0.820022D+00
               251           252           253           254           255 
      1   0.109282D+01  0.464260D+01 -0.373337D+01 -0.974380D+00 -0.258630D+01
      2   0.104270D+02 -0.226095D+02  0.107689D+02  0.430852D+01  0.102461D+02
      3   0.809344D+01 -0.535202D+01 -0.555449D+01 -0.557669D+01 -0.652029D+00
               256           257           258           259           260 
      1  -0.197601D+01 -0.181113D+01 -0.354347D+01 -0.420127D+01 -0.163536D+01
      2   0.555989D+01  0.689880D+01  0.691658D+01  0.157801D+02  0.942671D+01
      3  -0.341523D+01 -0.592992D+01 -0.509154D+01 -0.105205D+01 -0.988055D+01
               261           262           263           264           265 
      1  -0.556782D+01  0.120506D+01  0.118793D+01 -0.118215D+01  0.516715D+00
      2   0.187914D+02 -0.110228D+02 -0.392969D+01 -0.829222D+01 -0.296202D+01
      3  -0.496477D+01  0.119621D+02  0.523594D+01  0.304081D+01  0.670460D+01
               266           267           268           269           270 
      1  -0.103339D+00 -0.131938D+01 -0.342961D-01  0.216139D+01 -0.242124D+01
      2  -0.644478D+01 -0.656241D+01 -0.103523D+02 -0.888084D+01 -0.209508D+02
      3   0.589559D+01  0.605677D+01  0.465325D+01  0.913589D+01  0.977068D+01
               271           272           273           274           275 
      1   0.849670D+00 -0.206487D+01  0.147204D+01 -0.112269D+01  0.782438D+00
      2  -0.990192D+00 -0.569951D+00  0.580466D+01  0.777650D-01 -0.461939D+00
      3   0.992318D+01 -0.125353D+02 -0.384031D+00 -0.953436D+01  0.742057D+01
               276           277           278           279           280 
      1  -0.145767D+01  0.646275D+00  0.299592D+00  0.113735D+00  0.316251D+01
      2  -0.394054D+01  0.400300D+01 -0.410263D+01 -0.145777D+01  0.276523D+01
      3   0.134552D+01 -0.654731D+00  0.480068D+00  0.364402D+01 -0.481742D+01
               281           282           283           284           285 
      1   0.284925D+00  0.408489D+01  0.134935D+01  0.350161D-01  0.804498D+00
      2  -0.105159D+01  0.103233D+02 -0.149363D+01  0.133419D+01  0.193003D+01
      3  -0.373411D+01 -0.153251D+01 -0.560427D+01  0.312475D+01 -0.352624D+01
               286           287           288           289           290 
      1   0.432906D+01  0.228734D+01  0.593843D+01 -0.228365D+01 -0.219945D+01
      2   0.787761D+01 -0.132129D+01  0.152879D+02  0.124677D+01  0.860371D-01
      3  -0.614489D+00 -0.351029D+01 -0.145009D+01  0.779926D+01  0.524910D+01
               291           292           293           294           295 
      1  -0.559213D+00  0.209729D+01 -0.916895D+01 -0.361765D+01 -0.561420D+00
      2   0.728964D-01  0.317461D+01 -0.167222D+01 -0.399877D+01 -0.625807D+00
      3   0.112672D+01 -0.505084D+00  0.348095D+02 -0.292201D+01  0.279922D+01
               296           297           298           299           300 
      1  -0.586246D+00 -0.197245D+01 -0.765183D+00  0.440966D+01 -0.277536D+01
      2  -0.340521D+01 -0.154841D+01 -0.263967D+01 -0.184475D+01  0.554825D+00
      3   0.172186D+01  0.416839D+01  0.115184D+02  0.747042D+01  0.403652D+01
               301           302           303           304           305 
      1  -0.932351D+00  0.579574D+01 -0.615516D+01 -0.157549D+01 -0.477803D+01
      2  -0.200860D+01 -0.598201D+00  0.601624D+00 -0.139551D+01  0.560523D+00
      3   0.112174D+02  0.682647D+01  0.325520D+01  0.234905D+01  0.138894D+01
               306           307           308           309           310 
      1  -0.162892D+00 -0.470227D+01  0.163500D+01  0.777785D+01  0.127825D+01
      2   0.796171D+00  0.777445D+01 -0.190469D+01 -0.213967D+01 -0.291722D+00
      3   0.637473D+00 -0.169286D+02  0.451626D+01  0.719787D+01  0.386364D+01
               311           312           313           314           315 
      1  -0.405005D+01 -0.220514D+01  0.603778D+01 -0.585906D+00 -0.867102D+01
      2   0.157558D+01  0.672898D+00 -0.556628D+01  0.215824D+01  0.307897D+01
      3  -0.262217D+01 -0.253874D+01  0.859454D+01 -0.477290D+01 -0.817802D+01
               316           317           318           319           320 
      1   0.485974D+01  0.142516D+01 -0.803770D+01  0.101049D+01  0.406980D+01
      2   0.743503D+01  0.148459D+01 -0.164495D+01 -0.377126D+00  0.117198D+01
      3   0.175348D+02  0.390980D+01 -0.718836D+01  0.240109D+01  0.243713D+01
               321           322           323           324           325 
      1  -0.200553D+01 -0.562429D+01 -0.723617D+00  0.862715D+01  0.110557D+01
      2  -0.539380D+00 -0.485408D+01 -0.202626D+01  0.261580D+01 -0.276844D+01
      3  -0.219418D+01 -0.747238D+01 -0.469844D+01  0.772519D+01 -0.115268D+02
               326           327           328           329           330 
      1   0.424040D+01  0.246138D+01 -0.119563D+01 -0.547081D+01 -0.621615D+01
      2   0.159806D+01  0.580034D+00  0.221457D+01 -0.605002D+00 -0.380516D+00
      3   0.736249D+01 -0.398279D+01  0.106086D+02 -0.721217D+01  0.362101D+01
               331           332           333           334           335 
      1   0.128877D+01 -0.473516D+01  0.505377D+00 -0.241030D+01 -0.274890D+01
      2  -0.158378D+01 -0.303496D+00  0.685648D+00  0.134530D+02  0.474449D+01
      3  -0.269578D+01  0.141037D+01 -0.752705D+00  0.238648D+01 -0.248538D+00
               336           337           338           339           340 
      1  -0.627444D+00 -0.144187D+01 -0.116317D+01  0.119903D+01 -0.186331D+01
      2  -0.811666D+01  0.632658D+01  0.217090D+01 -0.120838D+01 -0.121285D+02
      3  -0.280088D+01  0.277673D+01  0.410696D+00 -0.481260D+00 -0.332303D+01
               341           342           343           344           345 
      1   0.235470D+01  0.215204D+01  0.105054D+01  0.126184D+01  0.221025D+00
      2  -0.352347D+00  0.862209D+01 -0.741909D-01 -0.105176D+01 -0.169694D+01
      3   0.949973D+00  0.192641D+01 -0.832468D+00 -0.140337D+01  0.267808D+00
               346           347           348           349           350 
      1   0.181603D+01  0.890975D+01  0.566943D+01  0.468094D+00  0.777707D+01
      2  -0.238044D+01  0.359472D+01  0.485220D+01 -0.288745D+01  0.486467D+01
      3   0.120516D+01 -0.548947D+01 -0.551805D+01  0.671548D+00 -0.508848D+01
               351           352           353           354           355 
      1   0.529084D+01  0.155267D+01 -0.295137D+01  0.243322D+01 -0.251128D+01
      2   0.707938D+01  0.233141D+01 -0.250346D+01  0.279879D+01  0.455597D+00
      3  -0.529213D+01 -0.144086D+01 -0.571217D+01  0.202645D+01 -0.372661D+01
               356           357           358           359           360 
      1   0.502287D+01 -0.501197D+01  0.158729D+01 -0.317776D+01  0.218765D+01
      2   0.863938D+00 -0.536636D+01  0.938636D-01 -0.528797D+01  0.141736D+01
      3   0.178790D+02 -0.129032D+01  0.390260D+00 -0.432717D+01  0.430838D+01
               361           362           363           364           365 
      1  -0.798704D+00 -0.141927D+01 -0.266880D+01  0.292809D+00 -0.129824D+01
      2  -0.947818D+01 -0.554201D+01 -0.678963D+01 -0.149546D+01 -0.747574D+01
      3   0.111170D+02  0.450687D+01  0.586773D+01  0.411826D+01  0.759339D+01
               366           367           368           369           370 
      1  -0.296133D+01  0.585840D+00 -0.151348D+01 -0.828024D+01  0.486245D+00
      2  -0.609036D+01 -0.846893D+01 -0.117379D+02 -0.179721D+02 -0.719982D+01
      3   0.615372D+01  0.858720D+01  0.875249D+01  0.110492D+02  0.512817D+01
               371           372           373           374           375 
      1  -0.207638D+01  0.161531D+00 -0.750254D+00  0.246946D+01  0.161855D+00
      2   0.497437D+01  0.108272D+02  0.533092D+01 -0.603076D+01 -0.573310D+01
      3  -0.697339D+01 -0.537181D+01 -0.508256D+01  0.945484D+01  0.659315D+01
               376           377           378           379           380 
      1   0.199872D-01  0.241150D+01 -0.119003D+01 -0.267826D+01  0.346658D+01
      2   0.952037D+01 -0.451618D+01 -0.137531D+02 -0.113360D+02  0.621580D+01
      3  -0.483901D+01  0.537568D+01  0.402922D+01 -0.342179D+01  0.522920D+01
               381           382           383           384           385 
      1  -0.232149D+01  0.361693D+01 -0.673062D+01  0.269770D+01 -0.265565D+01
      2  -0.481978D+01  0.957058D+01 -0.102594D+02  0.117318D+02 -0.608827D+01
      3  -0.385450D+01  0.809089D+01 -0.133302D+02  0.717651D+01 -0.374605D+01
               386           387           388           389           390 
      1   0.511887D+01 -0.406324D+01  0.898020D+00 -0.273825D-02 -0.126152D+01
      2   0.872762D+01 -0.159518D+02 -0.905988D+01 -0.442273D+01  0.777625D+01
      3   0.646553D+01 -0.701119D+01 -0.166639D+02 -0.126035D+02  0.304986D+01
               391           392           393           394           395 
      1   0.114528D+01 -0.210404D+00 -0.166541D+01 -0.560066D+00  0.830630D+00
      2  -0.832420D+01 -0.250267D+01  0.429017D+01  0.867805D+01  0.274155D+01
      3  -0.150031D+02 -0.149409D+02  0.127620D+01  0.703519D+01  0.377181D+01
               396           397           398           399           400 
      1   0.947778D+00 -0.118578D+01  0.888560D+00 -0.473591D-02  0.989159D+00
      2  -0.612847D+01  0.863327D+01 -0.400640D+01  0.637390D+01 -0.869004D+01
      3  -0.193389D+01  0.677301D+01 -0.733385D+01  0.511224D+01 -0.111355D+02
               401           402           403           404           405 
      1  -0.137075D+01 -0.883861D+00 -0.388916D+00  0.234057D+01 -0.245373D-01
      2   0.649241D+01 -0.113024D+02  0.805451D+01 -0.742333D+01  0.159004D+02
      3   0.161462D+02 -0.814417D+01  0.941636D+01 -0.915137D+01  0.823931D+01
               406           407           408           409           410 
      1   0.553273D+01 -0.289497D+01  0.106251D+01 -0.297576D-01  0.878944D+01
      2  -0.377383D+01  0.136414D+01 -0.588908D+00 -0.183207D+01 -0.923799D+01
      3  -0.633758D+01  0.256490D+01 -0.469684D+01 -0.251508D-02 -0.223825D+02
               411           412           413           414           415 
      1  -0.583566D+01  0.152436D+00 -0.503505D+01  0.491122D+01 -0.217027D+01
      2   0.551849D+01  0.147713D+01  0.867294D+01 -0.818874D+01  0.497816D+01
      3   0.611210D+01 -0.760201D+01  0.102508D+02 -0.918960D+01 -0.137366D+01
               416           417           418           419           420 
      1  -0.812678D+00 -0.221872D+01 -0.489990D-01  0.107939D+01 -0.186639D+01
      2   0.387063D+01  0.631150D+01  0.252128D+01  0.437757D+01  0.628845D+01
      3  -0.445838D+01 -0.307605D+01 -0.439554D+01 -0.886212D+01 -0.558801D+01
               421           422           423 
      1  -0.224889D+01 -0.860993D-01 -0.600244D+01
      2   0.578177D+01  0.993183D+01  0.205172D+02
      3  -0.324618D+01 -0.759284D+01 -0.949150D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.383008D+02  0.105949D+02  0.952191D+01  0.192027D+02  0.163765D+02
      2   0.222533D+02 -0.698103D+01 -0.212716D+00 -0.163171D+02 -0.375871D+02
      3   0.160474D+02 -0.361387D+01 -0.930919D+01 -0.288564D+01  0.212106D+02
      4   0.181641D+01 -0.240914D+01  0.866161D+00 -0.653529D+01 -0.451137D+02
      5   0.666554D+01 -0.214372D+01  0.921169D+01 -0.880069D-01  0.283536D+01
      6  -0.237954D+01  0.194850D+00  0.461317D+01  0.334719D+01  0.808429D+01
                 6             7             8             9            10 
      1   0.162844D+01  0.722676D+01  0.220507D+01  0.169191D+02  0.191351D+02
      2   0.525659D+01 -0.252356D+01 -0.106921D+01  0.346437D+01 -0.166229D+02
      3  -0.688502D+01 -0.470320D+01 -0.113586D+01 -0.203834D+02 -0.251226D+01
      4   0.539093D+01  0.597950D+01  0.174757D+01  0.632025D+01  0.269358D+02
      5   0.505715D+01  0.672241D+01  0.161834D+01  0.162570D+02 -0.921377D-01
      6   0.210066D+01  0.158038D+01  0.852362D+00  0.853835D+01 -0.267856D+01
                11            12            13            14            15 
      1   0.911740D+01 -0.358311D+01  0.473375D+02  0.670665D+01 -0.845269D+01
      2   0.118205D+02  0.162240D+01 -0.137858D+02 -0.126846D+02  0.262528D+01
      3  -0.209379D+02  0.196071D+01 -0.335517D+02  0.597796D+01  0.582741D+01
      4   0.143834D+02 -0.690505D+01  0.155296D+02  0.137126D+02  0.111035D+00
      5  -0.403769D+01  0.969446D+01 -0.191692D+01 -0.160923D+01  0.136328D+01
      6   0.634548D+01 -0.207245D+01 -0.686584D+00 -0.214911D+01  0.598462D+01
                16            17            18            19            20 
      1  -0.211953D+02  0.375982D+01  0.698426D+01  0.588208D+02 -0.148187D+02
      2   0.486309D+01 -0.875712D+01 -0.301694D+01 -0.332225D+02  0.157647D+02
      3   0.163322D+02  0.499730D+01 -0.396733D+01 -0.255983D+02 -0.946081D+00
      4  -0.340808D+01 -0.800436D+01  0.889631D+01 -0.243472D+02  0.103106D+02
      5   0.148180D+02  0.653992D+01 -0.808510D+01  0.403501D+02 -0.806648D+01
      6   0.508802D+01  0.244101D+01 -0.404032D+01 -0.829066D+01  0.553548D+01
                21            22            23            24            25 
      1   0.141732D+02 -0.477428D+02  0.366450D+01  0.910726D+01  0.246955D+02
      2  -0.173826D+02  0.166982D+02  0.105821D+02 -0.637829D+01 -0.742932D+01
      3   0.320943D+01  0.310445D+02 -0.142466D+02 -0.272898D+01 -0.172662D+02
      4  -0.710068D+01  0.389486D+01 -0.115934D+02  0.495955D+01  0.151125D+02
      5   0.153451D+02  0.597286D+01  0.661662D+01  0.114649D+01 -0.386770D+00
      6  -0.545248D+01  0.587300D+01 -0.191953D+01 -0.230226D+01  0.105771D+01
                26            27            28            29            30 
      1   0.814056D+01 -0.355346D+01 -0.364174D+02  0.258780D+01 -0.208659D+02
      2  -0.902551D+01 -0.238140D+01  0.282981D+02 -0.839111D+01  0.161525D+02
      3   0.884945D+00  0.593486D+01  0.811939D+01  0.580332D+01  0.471335D+01
      4  -0.472507D+00 -0.252198D+01  0.546426D+01  0.443474D+01  0.115131D+02
      5   0.421079D+00  0.170741D+01 -0.411612D+02  0.109353D+02 -0.364945D+02
      6   0.340852D+00  0.976324D+01  0.961964D+01 -0.195003D+01  0.814582D+01
                31            32            33            34            35 
      1  -0.311503D+01  0.124134D+02  0.368234D+01 -0.318130D+02  0.139574D+02
      2   0.706046D+01 -0.240156D+02 -0.908794D-01  0.259046D+02 -0.102100D+02
      3  -0.394543D+01  0.116022D+02 -0.359146D+01  0.590832D+01 -0.374733D+01
      4  -0.710678D+01  0.363365D+02 -0.356153D+01  0.171801D+02  0.493974D+01
      5   0.679839D+01 -0.583718D+01 -0.719790D+01 -0.583931D+02 -0.122606D+01
      6  -0.369436D+01  0.701625D+01  0.141477D+01  0.124087D+02 -0.329258D+00
                36            37            38            39            40 
      1  -0.385169D+02 -0.799522D+02  0.498200D+02  0.136809D+02  0.542207D+02
      2   0.282959D+02  0.358362D+02 -0.226407D+02 -0.379606D+01 -0.261522D+02
      3   0.102210D+02  0.441160D+02 -0.271793D+02 -0.988485D+01 -0.280686D+02
      4  -0.142402D+00  0.559730D+02 -0.135598D+02 -0.490380D+01 -0.174093D+02
      5  -0.229156D+02  0.147907D+02 -0.523348D+01  0.245312D+02 -0.351556D+01
      6   0.369890D+01 -0.810377D+01  0.175177D+01 -0.477161D+01  0.119842D+01
                41            42            43            44            45 
      1  -0.122447D+02  0.988555D+00  0.473111D+01  0.281436D+01  0.359195D+02
      2   0.789887D+01  0.112162D+01  0.130914D+01  0.139643D+01 -0.175362D+02
      3   0.434588D+01 -0.211017D+01 -0.604025D+01 -0.421079D+01 -0.183833D+02
      4  -0.167976D+02  0.657366D+01 -0.155835D+01  0.618901D+01  0.166998D+02
      5   0.704167D+01  0.173471D+02  0.345006D+02  0.179345D+02  0.446972D+01
      6   0.684646D+00 -0.385173D+01 -0.353606D+01 -0.317710D+01 -0.523664D+01
                46            47            48            49            50 
      1   0.184751D+02 -0.328025D+02 -0.456094D+00 -0.482852D+02 -0.957687D+01
      2  -0.832776D+01  0.185173D+02 -0.613129D+01  0.265834D+02  0.972154D+01
      3  -0.101474D+02  0.142852D+02  0.658738D+01  0.217018D+02 -0.144671D+00
      4  -0.351747D+02 -0.121684D+02  0.362228D+01 -0.175188D+02  0.185335D+02
      5   0.695090D+01  0.598689D+01 -0.417546D+02  0.529113D+01 -0.393958D+01
      6   0.666006D+01  0.132033D+00 -0.108451D+02  0.929467D+00 -0.377217D+01
                51            52            53            54            55 
      1   0.226033D+00  0.955273D+01 -0.588243D+00 -0.551765D+02 -0.448779D+01
      2  -0.421835D+01 -0.143699D+02 -0.459483D+01  0.289868D+02 -0.101513D+02
      3   0.399232D+01  0.481713D+01  0.518307D+01  0.261897D+02  0.146391D+02
      4  -0.406465D+01  0.307421D+01 -0.431657D+01 -0.427347D+02  0.146375D+02
      5  -0.269335D+02 -0.720251D+02 -0.364470D+02  0.131922D+02  0.227141D+01
      6  -0.792567D+01 -0.199058D+02 -0.815487D+01  0.417549D+01 -0.216673D+01
                56            57            58            59            60 
      1   0.809147D+01 -0.214729D+02 -0.360392D+01 -0.178822D+01  0.466950D+01
      2  -0.976528D+01 -0.121054D+02 -0.809880D+00  0.843591D+01  0.433837D+01
      3   0.167381D+01  0.335782D+02  0.441380D+01 -0.664769D+01 -0.900787D+01
      4  -0.237536D+01 -0.992272D-01  0.451634D+01  0.338533D+01 -0.170011D+01
      5  -0.982471D-01  0.232930D+02 -0.195539D+01 -0.871852D+00  0.505233D+01
      6   0.257824D+01  0.730217D+01 -0.297482D+00  0.351891D+01 -0.827811D+01
                61            62            63            64            65 
      1   0.456360D+01 -0.140163D+02 -0.458745D+01 -0.600288D+00 -0.542588D+01
      2  -0.205209D+02  0.885896D+01 -0.265792D+02  0.501149D+01 -0.326216D+01
      3   0.159573D+02  0.515736D+01  0.311666D+02 -0.441120D+01  0.868803D+01
      4  -0.117147D+02  0.381640D+01  0.756123D+00 -0.136623D+01  0.983287D+01
      5   0.265867D+02 -0.396510D+00  0.301351D+02  0.661714D+01 -0.212450D+01
      6  -0.439796D+01 -0.456698D+01  0.160753D+01 -0.132233D+01 -0.450533D+00
                66            67            68            69            70 
      1   0.597947D+01 -0.803137D+01  0.637727D+01 -0.256147D+02 -0.263287D+01
      2  -0.664945D+01 -0.106370D+01 -0.172765D+02 -0.680391D+01 -0.398373D+01
      3   0.669975D+00  0.909507D+01  0.108993D+02  0.324186D+02  0.661660D+01
      4  -0.298136D+01  0.421230D+01  0.142646D+01  0.920102D+00 -0.426188D+01
      5   0.305770D+01  0.315285D+00  0.941842D+00  0.181344D+02  0.324689D+01
      6   0.115989D+02  0.502330D+01  0.576272D+01  0.148772D+02  0.438124D+01
                71            72            73            74            75 
      1  -0.220274D+02 -0.226815D+02  0.478272D-01 -0.336475D+01 -0.407586D+01
      2   0.109567D+02 -0.136566D+02  0.101728D+02 -0.736171D+01  0.226084D+01
      3   0.110707D+02  0.363381D+02 -0.102207D+02  0.107265D+02  0.181502D+01
      4   0.856502D+01  0.877554D+01 -0.753040D+01 -0.236902D+00  0.159588D+02
      5   0.818666D+01  0.213068D+02  0.357156D+01  0.120698D+02 -0.132581D+01
      6   0.170170D+02  0.204146D+02  0.108645D+02  0.610942D+01  0.424937D+01
                76            77            78            79            80 
      1   0.116429D+02 -0.333888D+02 -0.100974D+02 -0.985443D+00  0.483737D+01
      2  -0.409541D+01  0.493243D+02 -0.225643D+00  0.146552D+00  0.179958D+01
      3  -0.754750D+01 -0.159355D+02  0.103230D+02  0.838891D+00 -0.663696D+01
      4   0.713836D+01  0.239726D+02  0.450350D+01  0.896260D+01  0.786787D+01
      5   0.223753D+01  0.516913D+01  0.498450D+01 -0.231444D+01  0.837009D+00
      6   0.263241D+01  0.231791D+02  0.111991D+02  0.647733D+01  0.818247D+01
                81            82            83            84            85 
      1  -0.885952D+01  0.853111D+01  0.182232D+02 -0.526106D+00  0.134846D+02
      2   0.898423D+01 -0.146500D+02 -0.409573D+02 -0.547579D+01 -0.263543D+02
      3  -0.124713D+00  0.611884D+01  0.227342D+02  0.600189D+01  0.128697D+02
      4  -0.332960D+01 -0.166954D+01 -0.235799D+02 -0.137706D+02 -0.153416D+02
      5   0.570270D+01  0.853674D+00 -0.839865D+01 -0.467588D+01 -0.321758D+01
      6  -0.118491D+01 -0.176347D+02 -0.772213D+01  0.156947D+02 -0.327225D+01
                86            87            88            89            90 
      1   0.265664D+02  0.621464D+01 -0.247787D+01 -0.365463D+01  0.372281D+01
      2  -0.535425D+02 -0.120119D+02 -0.821094D+00  0.367187D+01 -0.410783D+01
      3   0.269761D+02  0.579730D+01  0.329897D+01 -0.172453D-01  0.385017D+00
      4  -0.367997D+02 -0.213980D+01 -0.929753D+01 -0.126111D+01  0.103307D+02
      5  -0.261026D+01  0.139218D+00 -0.446814D+01  0.170176D+01  0.306853D+01
      6  -0.224100D+02 -0.470544D+01  0.179823D+02 -0.109468D+02 -0.628883D-01
                91            92            93            94            95 
      1   0.834772D+01 -0.191102D+02  0.569391D+00 -0.139420D+02  0.287993D+02
      2  -0.133320D+02  0.409011D+02 -0.681056D+01  0.253433D+02 -0.539900D+02
      3   0.498432D+01 -0.217909D+02  0.624116D+01 -0.114012D+02  0.251907D+02
      4  -0.251210D+00 -0.215140D+02  0.136322D+02 -0.132294D+02  0.351669D+02
      5   0.153602D+01  0.810822D+01 -0.534046D+01  0.316068D+01 -0.316233D+01
      6   0.175349D+02 -0.863437D+01 -0.153449D+02 -0.455861D+01  0.237233D+02
                96            97            98            99           100 
      1  -0.690187D+01 -0.112763D+01  0.264528D+01  0.358112D+01 -0.466193D+01
      2   0.130928D+02 -0.251473D+01 -0.243814D+01 -0.402136D+01  0.116239D+02
      3  -0.619091D+01  0.364236D+01 -0.207140D+00  0.440231D+00 -0.696198D+01
      4  -0.327138D+01  0.859315D+01 -0.244332D+01 -0.103781D+02  0.117789D+02
      5   0.200375D+00 -0.468696D+01 -0.170680D+01  0.376324D+01  0.186262D+01
      6  -0.545317D+01 -0.175983D+02 -0.110306D+02  0.361023D+00 -0.102451D+02
               101           102           103           104           105 
      1   0.473206D+01 -0.354120D+01 -0.875916D+01 -0.350040D+02  0.101719D+02
      2   0.657262D+01  0.330783D+01  0.318906D+01  0.486770D+02 -0.759392D+00
      3  -0.113047D+02  0.233375D+00  0.557011D+01 -0.136730D+02 -0.941256D+01
      4  -0.234094D+01 -0.149032D+02  0.528418D+01 -0.197081D+02  0.425700D+01
      5  -0.108160D+02 -0.631172D+00 -0.135434D+01  0.427483D+01 -0.340982D+01
      6   0.496547D+01 -0.411094D+01  0.100425D+01 -0.235002D+02  0.102002D+02
               106           107           108           109           110 
      1  -0.232803D+01 -0.284199D+01 -0.936454D+01  0.129281D+02 -0.103209D+02
      2   0.640892D+00 -0.239221D+01  0.671807D+01 -0.954113D+01 -0.136708D+02
      3   0.168714D+01  0.523421D+01  0.264647D+01 -0.338700D+01  0.239918D+02
      4  -0.772059D+01  0.758118D+01  0.266756D+01 -0.307871D+02  0.194405D+02
      5  -0.180461D+01 -0.944171D+00  0.454937D+01  0.451218D+01  0.306285D+01
      6  -0.618140D+01  0.847770D+01 -0.275138D+00  0.499857D+01  0.719856D+01
               111           112           113           114           115 
      1  -0.289590D+01 -0.453157D+02  0.115305D+02  0.455242D+01 -0.291241D+02
      2  -0.128875D+00  0.777031D+01 -0.138384D+02  0.348891D+00  0.481814D+01
      3   0.302478D+01  0.375454D+02  0.230788D+01 -0.490131D+01  0.243059D+02
      4   0.663915D+01  0.215162D+02 -0.166539D+02 -0.192310D+00  0.937051D+01
      5   0.586219D+01 -0.316188D+01 -0.158252D+01  0.941186D-01  0.123390D+02
      6   0.282715D+01 -0.821285D+00  0.208408D+01  0.580489D+01 -0.205803D+01
               116           117           118           119           120 
      1  -0.349493D+01  0.511911D+01  0.600987D+02  0.131410D+02  0.111032D+02
      2   0.105905D+02  0.698821D+00 -0.351868D+02 -0.130902D+02 -0.165046D+02
      3  -0.709554D+01 -0.581793D+01 -0.249119D+02 -0.508002D-01  0.540134D+01
      4  -0.107325D+02 -0.100296D+02  0.225834D+02  0.114946D+02  0.519068D+01
      5  -0.645719D+01 -0.387543D+01  0.355869D+02  0.626728D+01  0.180034D+02
      6   0.459533D+01  0.237530D+01  0.451812D+01  0.654272D+01  0.550857D+01
               121           122           123           124           125 
      1   0.394066D+02  0.484121D+01 -0.895023D+01  0.248660D+02 -0.875298D+01
      2  -0.913847D+01  0.836189D+01  0.508384D+01 -0.654111D+01  0.789595D+01
      3  -0.302681D+02 -0.132031D+02  0.386640D+01 -0.183249D+02  0.857031D+00
      4   0.320349D+01  0.111091D+02  0.442984D+01 -0.165272D+02  0.247743D+01
      5  -0.760065D+01  0.537940D+01 -0.666950D+00  0.343000D+01  0.234206D+01
      6   0.692305D+01  0.145136D+00 -0.935130D+00 -0.197175D+01  0.158120D+00
               126           127           128           129           130 
      1  -0.333661D+01 -0.364526D+01 -0.100718D+02 -0.245707D+02  0.162574D+01
      2  -0.339814D+01 -0.631869D+01  0.109155D+02 -0.118632D+02  0.257596D+01
      3   0.673475D+01  0.996395D+01 -0.843650D+00  0.364339D+02 -0.420171D+01
      4   0.497669D+01 -0.202754D+02 -0.108349D+01 -0.699269D+00  0.343217D+01
      5   0.459843D+01 -0.200674D+00 -0.755805D+00  0.185208D+02  0.249882D+01
      6  -0.595215D+01  0.158816D+01  0.161238D+01 -0.765831D+01  0.278380D+00
               131           132           133           134           135 
      1  -0.239402D+01 -0.326107D+01  0.801658D+01  0.143849D+02 -0.691815D+01
      2   0.837386D+01 -0.389509D+01 -0.239836D+02 -0.878153D+01 -0.282699D+02
      3  -0.597984D+01  0.715616D+01  0.159670D+02 -0.560342D+01  0.351880D+02
      4  -0.193039D+01 -0.133178D+01  0.102373D+02  0.250148D+01 -0.170831D+01
      5  -0.569750D+00 -0.619980D+01  0.262614D+02 -0.484462D+00  0.331475D+02
      6  -0.396725D+01 -0.813375D+01  0.353190D+01 -0.398075D+01 -0.254649D+01
               136           137           138           139           140 
      1  -0.142446D+01  0.518637D+01  0.835676D+01  0.663651D+01  0.799264D+01
      2   0.556146D+01  0.106169D+01 -0.623502D+01 -0.214551D+00 -0.172282D+02
      3  -0.413700D+01 -0.624806D+01 -0.212175D+01 -0.642196D+01  0.923556D+01
      4   0.254150D+01  0.100474D+02  0.339820D+01  0.762554D+01 -0.345387D+01
      5   0.608396D+01  0.220684D+01  0.206416D+01 -0.430259D+00  0.118274D+01
      6   0.143222D+01 -0.135971D+01 -0.948318D+01  0.508968D+01 -0.446858D+01
               141           142           143           144           145 
      1   0.260950D+02 -0.184779D+01  0.223918D+02 -0.228952D+02 -0.186709D+02
      2   0.840243D+01 -0.379447D+01 -0.111954D+02 -0.124189D+02  0.118094D+01
      3  -0.344974D+02  0.564226D+01 -0.111964D+02  0.353141D+02  0.174899D+02
      4   0.724111D+00  0.628475D+01  0.680488D+01 -0.622560D+01  0.196022D+02
      5  -0.152384D+02  0.628816D+00 -0.669973D+01  0.188297D+02  0.914088D+00
      6   0.156690D+02 -0.349478D+01  0.164685D+02 -0.195944D+02  0.178703D-01
               146           147           148           149           150 
      1   0.197819D+01  0.105407D+02  0.421024D+01 -0.176627D+02  0.103476D+02
      2   0.180370D+02 -0.612833D+01  0.221964D+02 -0.134102D+02 -0.478718D+01
      3  -0.200151D+02 -0.441236D+01 -0.264067D+02  0.310729D+02 -0.556046D+01
      4  -0.300292D+02  0.771709D+01 -0.505545D+02  0.463280D+02 -0.287981D+01
      5   0.118534D+02  0.466349D+01  0.142775D+02 -0.285012D+01  0.339964D+01
      6  -0.640444D+01 -0.841730D+01 -0.190152D+01  0.131605D+01 -0.623201D+01
               151           152           153           154           155 
      1   0.140437D+02  0.201294D+02  0.153691D+02 -0.657733D+01  0.225836D+02
      2  -0.131088D+02 -0.194900D+01 -0.779658D+01  0.520059D+01 -0.205770D+02
      3  -0.934918D+00 -0.181804D+02 -0.757253D+01  0.137674D+01 -0.200659D+01
      4   0.189187D+02 -0.132734D+02  0.577338D+01  0.298034D+02 -0.303005D+01
      5   0.269544D+01  0.818694D+01  0.402812D+01  0.297514D+02 -0.347224D+02
      6  -0.525684D+01 -0.824731D+01 -0.866559D+01 -0.110686D+02  0.326070D+01
               156           157           158           159           160 
      1   0.189465D+02  0.324318D+02  0.665551D+01 -0.420127D+02  0.154850D+02
      2  -0.963551D+01 -0.264298D+02  0.148593D+01  0.192195D+02 -0.679587D+01
      3  -0.931096D+01 -0.600198D+01 -0.814144D+01  0.227932D+02 -0.868913D+01
      4  -0.340072D+02 -0.314698D+01 -0.205358D+01  0.181718D+02 -0.410484D+02
      5  -0.229779D+02 -0.474596D+02  0.151101D+02  0.215064D+00 -0.225023D+02
      6   0.991318D+01  0.602671D+01 -0.104367D+01 -0.591338D+01  0.115066D+02
               161           162           163           164           165 
      1  -0.374053D+02 -0.138730D+02 -0.532178D+02 -0.326250D+02 -0.387136D+01
      2   0.152239D+02  0.109246D+02  0.225748D+02  0.152989D+02  0.429635D+01
      3   0.221814D+02  0.294837D+01  0.306430D+02  0.173261D+02 -0.424995D+00
      4   0.169599D+02 -0.202983D+01 -0.369837D+02 -0.210746D+02  0.319815D+02
      5  -0.232056D+01  0.178869D+02 -0.317397D+01  0.314305D+02  0.136856D+01
      6  -0.483564D+01 -0.991518D+00  0.752302D+01  0.581959D+00  0.249003D+01
               166           167           168           169           170 
      1  -0.508078D+02 -0.312955D+02  0.445300D+02 -0.225182D+01  0.450342D+02
      2   0.231034D+02  0.153385D+02 -0.226486D+02  0.249684D+01 -0.240968D+02
      3   0.277044D+02  0.159570D+02 -0.218814D+02 -0.245017D+00 -0.209374D+02
      4  -0.378783D+02  0.366687D+01 -0.105993D+02  0.494105D+02 -0.786728D+01
      5   0.478320D+02 -0.108217D+02  0.214858D+02 -0.936013D+01  0.208517D+02
      6  -0.258351D+01  0.473625D+01 -0.329321D+01  0.389728D+01 -0.326325D+01
               171           172           173           174           175 
      1  -0.466145D+01 -0.168737D+02  0.630839D+01  0.410706D+01  0.493652D+01
      2   0.232024D+01  0.120746D+02  0.122334D+00 -0.234727D+01 -0.478403D+01
      3   0.234121D+01  0.479914D+01 -0.643073D+01 -0.175980D+01 -0.152488D+00
      4   0.199589D+02  0.964249D+00 -0.497074D+01 -0.201982D+02 -0.176568D+02
      5  -0.711728D+01 -0.828083D+01 -0.203376D+02 -0.214534D+02 -0.264763D+02
      6   0.487254D+01 -0.507392D+01 -0.672905D+01 -0.709384D+01 -0.794992D+01
               176           177           178           179           180 
      1  -0.170967D+01 -0.209914D+02  0.996255D+01 -0.188976D+02 -0.105160D+02
      2  -0.557875D+01  0.177053D+02  0.265282D+01  0.204964D+02  0.890814D+01
      3   0.728842D+01  0.328605D+01 -0.126154D+02 -0.159885D+01  0.160785D+01
      4  -0.234501D+02 -0.828872D-02 -0.239241D+02  0.182426D+01 -0.282646D+02
      5  -0.125017D+00 -0.190845D+02 -0.326269D+02 -0.295325D+02 -0.321144D+02
      6  -0.224148D+01 -0.711446D+01 -0.153247D+02 -0.102561D+02 -0.145645D+02
               181           182           183           184           185 
      1  -0.598325D+02  0.118339D+01 -0.586381D+01  0.100194D+01  0.104572D+02
      2   0.404307D+02 -0.935369D+00  0.219126D+02  0.283827D-01 -0.156820D+02
      3   0.194018D+02 -0.248017D+00 -0.160488D+02 -0.103032D+01  0.522479D+01
      4   0.149558D+01 -0.172048D+02  0.134474D+01 -0.975762D+01 -0.885468D+00
      5  -0.297400D+02  0.301207D+00 -0.335683D+02 -0.129883D+01 -0.745530D+01
      6   0.429371D+00 -0.484132D+01 -0.188156D+01 -0.115552D+02 -0.493844D+00
               186           187           188           189           190 
      1   0.137732D+00 -0.145001D+02 -0.117316D+00  0.183210D+02  0.290237D+02
      2  -0.102026D+01  0.249721D+02  0.643578D+00  0.210584D+02 -0.117720D+02
      3   0.882525D+00 -0.104720D+02 -0.526262D+00 -0.393794D+02 -0.172516D+02
      4  -0.571841D+01  0.241687D+01 -0.137440D+02 -0.599110D+00 -0.224002D+02
      5  -0.343037D+00 -0.195251D+02  0.458654D+00 -0.296718D+02 -0.128223D+02
      6  -0.155341D+02 -0.132609D+01 -0.909200D+01  0.447897D+00  0.101117D+02
               191           192           193           194           195 
      1  -0.199110D+01 -0.194701D+01 -0.227724D+01 -0.461840D+02 -0.159916D+02
      2  -0.464577D+01  0.375065D+01 -0.815365D+01  0.745261D+02  0.134743D+02
      3   0.663687D+01 -0.180364D+01  0.104309D+02 -0.283420D+02  0.251731D+01
      4   0.262730D+02  0.993378D+01  0.246872D+02 -0.266059D+02 -0.984879D+01
      5   0.103241D+02  0.196934D+02  0.386866D+01 -0.110829D+02 -0.693806D+01
      6  -0.359832D+01 -0.649564D+01 -0.751657D+01  0.305477D+02  0.298174D+02
               196           197           198           199           200 
      1  -0.803333D+00 -0.173296D+02 -0.236953D+02  0.309295D+02  0.288563D+00
      2   0.600322D+01  0.730399D+01 -0.412269D+01 -0.154192D+02  0.631805D+01
      3  -0.519989D+01  0.100256D+02  0.278180D+02 -0.155104D+02 -0.660661D+01
      4   0.616798D+01 -0.530863D+01 -0.120473D+02  0.202248D+02  0.236604D+02
      5   0.202939D+02 -0.118718D+02 -0.174798D+02 -0.143666D+02 -0.945605D+01
      6  -0.109725D+02  0.318470D+02  0.326321D+02 -0.102004D+02 -0.401914D+01
               201           202           203           204           205 
      1  -0.206373D+01 -0.120562D+00 -0.389914D+02  0.163902D+02  0.610730D-01
      2   0.496068D+01  0.856180D+01  0.611489D+02 -0.130071D+02  0.688239D+01
      3  -0.289695D+01 -0.844124D+01 -0.221575D+02 -0.338317D+01 -0.694346D+01
      4  -0.102309D+02  0.235703D+02  0.261595D+02 -0.107053D+02 -0.661664D+01
      5   0.229292D+02 -0.372627D+01 -0.122649D+02  0.758667D+01  0.230116D+02
      6   0.755034D+01 -0.812168D+01 -0.309580D+02  0.289821D+02  0.122767D+02
               206           207           208           209           210 
      1   0.195574D+02 -0.255642D+02 -0.734331D+01  0.607715D+01  0.180084D+02
      2  -0.912905D+01 -0.983420D+01 -0.745499D+01  0.956137D+00  0.981825D+01
      3  -0.104284D+02  0.353984D+02  0.147983D+02 -0.703329D+01 -0.278266D+02
      4  -0.690752D+01  0.133475D+02 -0.332047D+01  0.132931D+01  0.292573D+01
      5   0.123540D+02 -0.224787D+02 -0.110775D+02  0.271422D+01  0.106614D+02
      6   0.302532D+02 -0.347648D+02  0.799918D+01 -0.717402D+01 -0.131011D+02
               211           212           213           214           215 
      1   0.286720D+01 -0.337568D+01 -0.858319D+00  0.970667D+01 -0.243164D+01
      2  -0.715419D+00  0.339564D+00  0.240198D+01  0.492189D+01 -0.454485D+00
      3  -0.215178D+01  0.303612D+01 -0.154366D+01 -0.146286D+02  0.288612D+01
      4   0.133317D+01 -0.188253D+01 -0.143402D+01  0.149847D+01 -0.198914D+01
      5   0.237161D+01 -0.269322D+01 -0.343471D+01  0.821628D+01 -0.247092D+01
      6  -0.430837D+01  0.404498D+01  0.511310D+01 -0.537184D+01  0.475007D+01
               216           217           218           219           220 
      1  -0.167352D+02 -0.386860D+00 -0.202481D+01  0.457567D+01  0.758045D+00
      2  -0.112411D+02 -0.175577D+00 -0.526529D+00  0.270599D+01  0.315017D+01
      3   0.279763D+02  0.562438D+00  0.255134D+01 -0.728166D+01 -0.390821D+01
      4  -0.253953D+01 -0.235208D+01  0.183064D+01 -0.179051D+01  0.483820D+01
      5  -0.113638D+02  0.119262D+01 -0.268933D+01  0.169508D+01 -0.784703D+01
      6   0.785279D+01 -0.292249D+01  0.766948D+00  0.573336D+00  0.535525D+01
               221           222           223           224           225 
      1  -0.151401D+02  0.179765D+02  0.525948D+00  0.118096D+02 -0.205247D+02
      2   0.721956D+00  0.560789D+01 -0.844552D+00  0.251521D+01 -0.678806D+01
      3   0.144182D+02 -0.235844D+02  0.318604D+00 -0.143248D+02  0.273128D+02
      4  -0.101677D+02  0.100866D+02 -0.261598D+01  0.433791D+01 -0.601739D+01
      5   0.117138D+02 -0.161650D+02  0.354427D+01 -0.745020D+01  0.111523D+02
      6  -0.218109D+02  0.238891D+02 -0.209641D+01  0.157007D+02 -0.204598D+02
               226           227           228           229           230 
      1  -0.359038D+01  0.147879D+00 -0.774971D+01 -0.919872D+01 -0.537810D+01
      2  -0.133595D+01 -0.616362D+00  0.189464D+01  0.631820D+01  0.524061D+01
      3   0.492633D+01  0.468483D+00  0.585507D+01  0.288052D+01  0.137492D+00
      4  -0.459684D+01 -0.111989D+01 -0.703650D+00 -0.692609D+00  0.505932D+01
      5  -0.220352D+01  0.176001D+01 -0.862607D+00  0.895649D+00 -0.340950D+01
      6  -0.636127D+00  0.964698D+00 -0.286583D+01 -0.372929D+00 -0.307842D+01
               231           232           233           234           235 
      1   0.936518D+00 -0.183651D+02  0.100967D+01 -0.154917D+02  0.346659D+01
      2  -0.467739D+01  0.869289D+01 -0.811588D+00 -0.101570D+02  0.431733D+01
      3   0.374087D+01  0.967217D+01 -0.198079D+00  0.256487D+02 -0.778392D+01
      4  -0.429852D+01 -0.894455D+01 -0.576297D+01  0.229567D+01  0.105023D+02
      5  -0.313177D+01  0.892400D+01  0.469233D+01 -0.275590D+02 -0.119434D+01
      6   0.190323D+01  0.970528D+00  0.620996D+01 -0.149078D+02 -0.588969D+00
               236           237           238           239           240 
      1   0.455180D+01  0.127973D+00  0.830595D+01 -0.255612D+02  0.971862D+00
      2   0.807407D+00 -0.519766D+00  0.512707D+01  0.540815D+02 -0.444216D+01
      3  -0.535921D+01  0.391793D+00 -0.134330D+02 -0.285203D+02  0.347030D+01
      4   0.127612D+02 -0.953269D+00  0.222682D+02  0.592760D+02 -0.822325D+01
      5  -0.102277D+01 -0.471575D-01 -0.576302D+01 -0.475773D+01  0.471067D+01
      6  -0.132332D+01  0.717384D-01 -0.415139D+01 -0.124939D+02  0.688703D+01
               241           242           243           244           245 
      1   0.112459D+01  0.464118D+00 -0.532224D+01  0.565775D+02  0.188818D+02
      2  -0.568098D+00  0.154893D+01  0.377790D+01 -0.333868D+02 -0.964999D+01
      3  -0.556489D+00 -0.201305D+01  0.154433D+01 -0.231907D+02 -0.923183D+01
      4   0.139987D+00  0.556218D+00  0.567307D+01  0.313497D+02  0.178282D+02
      5   0.150267D+01  0.601179D+01 -0.221825D+01 -0.442015D+02 -0.131259D+02
      6   0.139907D+01  0.753524D+01 -0.229031D+01 -0.102899D+02 -0.494014D+01
               246           247           248           249           250 
      1  -0.293756D+02  0.185358D+02  0.113090D+02 -0.632837D+01 -0.449634D+02
      2   0.198163D+02 -0.787841D+01 -0.501472D+01  0.294865D+01  0.325964D+02
      3   0.955938D+01 -0.106574D+02 -0.629427D+01  0.337972D+01  0.123670D+02
      4  -0.154630D+02  0.249694D+02  0.155685D+02 -0.164820D+02 -0.267922D+02
      5   0.336229D+02 -0.150798D+02 -0.159453D+02  0.155461D+02  0.588739D+02
      6   0.775550D+01 -0.785331D+01 -0.696942D+01  0.928899D+01  0.148697D+02
               251           252           253           254           255 
      1  -0.107734D+02  0.316515D+02  0.451646D+02  0.183921D+02  0.185715D+02
      2   0.733799D+01 -0.285594D+02 -0.203997D+02 -0.720112D+01 -0.836312D+01
      3   0.343541D+01 -0.309210D+01 -0.247649D+02 -0.111909D+02 -0.102084D+02
      4  -0.204066D+02  0.278602D+02  0.279261D+02  0.173311D+02  0.982795D+01
      5   0.244345D+02 -0.552735D+02  0.210090D+02  0.687416D+01  0.189355D+02
      6   0.104565D+02 -0.151787D+02  0.499534D+01  0.214803D+01  0.476203D+01
               256           257           258           259           260 
      1   0.225613D+02  0.124340D+02  0.515709D+01  0.406366D+02  0.123025D+02
      2  -0.737826D+01 -0.124109D+01  0.680033D+00 -0.177988D+02 -0.248273D+01
      3  -0.151831D+02 -0.111929D+02 -0.583712D+01 -0.228378D+02 -0.981972D+01
      4   0.247298D+02  0.189865D+02  0.136882D+02  0.240633D+02  0.224934D+02
      5   0.827321D+01  0.122368D+02  0.121298D+02  0.344244D+02  0.189661D+02
      6   0.405166D+01  0.524858D+01  0.612209D+01  0.100055D+02  0.653555D+01
               261           262           263           264           265 
      1   0.252521D+02 -0.152904D+02 -0.121038D+02 -0.105466D+02 -0.151154D+02
      2  -0.125175D+02  0.798288D+01  0.548774D+01  0.358447D+01  0.814960D+01
      3  -0.127346D+02  0.730755D+01  0.661602D+01  0.696217D+01  0.696583D+01
      4   0.226111D+02 -0.772537D+01 -0.239205D+01 -0.229460D+00  0.339384D+01
      5   0.319653D+02 -0.572475D+01 -0.693878D+00 -0.917763D+01  0.181822D+01
      6   0.928770D+01  0.420254D+01  0.144021D+01  0.329448D+01  0.180398D+01
               266           267           268           269           270 
      1  -0.465209D+01 -0.305419D+01 -0.141541D+02 -0.755749D+01 -0.165862D+02
      2   0.263273D+01  0.139405D+01  0.582904D+01  0.189380D+01 -0.118845D+01
      3   0.201936D+01  0.166014D+01  0.832505D+01  0.566370D+01  0.177747D+02
      4  -0.598047D+01 -0.714818D+01  0.263332D+00 -0.126343D+02 -0.110806D+02
      5  -0.717574D+01 -0.984566D+01 -0.396480D+00 -0.125876D+02 -0.287961D+02
      6   0.465595D+01  0.696733D+01  0.135157D+01  0.771393D+01  0.108352D+02
               271           272           273           274           275 
      1   0.144666D+03 -0.425784D+02 -0.156763D+02 -0.398384D+02  0.267397D+02
      2  -0.698969D+02  0.181447D+02  0.867743D+01  0.147686D+02 -0.864129D+01
      3  -0.747690D+02  0.244337D+02  0.699891D+01  0.250698D+02 -0.180984D+02
      4  -0.582300D+02  0.321612D+02  0.592978D+01  0.389785D+02 -0.237186D+02
      5  -0.232175D+02  0.635351D+01  0.124502D+02  0.770777D+01 -0.483898D+01
      6   0.736370D+01 -0.395158D+01 -0.283075D+01 -0.455278D+01  0.289003D+01
               276           277           278           279           280 
      1   0.430199D+01 -0.470550D+01  0.977695D+00  0.117157D+02  0.648428D+02
      2  -0.217092D+01  0.345203D+01 -0.144149D+01 -0.682437D+01 -0.423958D+02
      3  -0.213107D+01  0.125347D+01  0.463791D+00 -0.489138D+01 -0.224470D+02
      4  -0.438275D+01  0.274428D+01 -0.155423D+01 -0.888835D+01 -0.176061D+02
      5  -0.671187D+01  0.174694D+02 -0.897656D+01 -0.453151D+01  0.517229D+02
      6   0.306245D+01 -0.379941D+01  0.308809D+01  0.196788D+01 -0.940952D+01
               281           282           283           284           285 
      1  -0.748644D+01  0.281873D+02  0.644876D+01  0.443835D+01 -0.134852D-01
      2   0.440692D+01 -0.211126D+02 -0.650513D+01 -0.878763D+00 -0.279604D+01
      3   0.307953D+01 -0.707467D+01  0.563723D-01 -0.355959D+01  0.280953D+01
      4   0.979436D+01 -0.107691D+02  0.122500D+02 -0.747589D+01  0.805683D+01
      5  -0.982505D+01  0.393027D+02 -0.201723D+00  0.931875D+01  0.281666D+01
      6   0.417349D+01 -0.814109D+01  0.431163D+01 -0.237963D+01  0.424790D+01
               286           287           288           289           290 
      1   0.432878D+02 -0.980096D+01  0.244291D+02 -0.291746D+01 -0.954213D+01
      2  -0.339489D+02  0.642569D+01 -0.280831D+02  0.331990D+01  0.685332D+01
      3  -0.933891D+01  0.337527D+01  0.365392D+01 -0.402442D+00  0.268881D+01
      4  -0.203501D+02  0.102225D+02 -0.124126D+02 -0.560748D+01  0.476417D+00
      5   0.566788D+02 -0.121621D+02  0.540637D+02  0.292493D+01 -0.224199D+00
      6  -0.130139D+02  0.711025D+01 -0.118322D+02 -0.182739D+00 -0.239604D+01
               291           292           293           294           295 
      1   0.291703D+01 -0.129313D+02 -0.169343D+02  0.227487D+01  0.470977D+00
      2  -0.175236D+01  0.172957D+00  0.363677D+02 -0.301006D+01 -0.190115D+01
      3  -0.116467D+01  0.127584D+02 -0.194333D+02  0.735196D+00  0.143017D+01
      4   0.271397D-01  0.184951D+02 -0.537418D+02  0.658374D+01 -0.214175D+01
      5   0.338868D+01 -0.369541D+01  0.918259D+01 -0.723831D+01  0.992650D+01
      6   0.207538D+00  0.313176D+01 -0.119183D+02  0.677533D+01 -0.185394D+01
               296           297           298           299           300 
      1   0.530165D-03  0.238322D+01 -0.564854D+01 -0.212577D+02 -0.420528D+01
      2   0.150509D+01 -0.307572D+00  0.187845D+02  0.452851D+02  0.664045D+01
      3  -0.150562D+01 -0.207565D+01 -0.131359D+02 -0.240273D+02 -0.243517D+01
      4  -0.103291D+01 -0.555185D+01  0.228768D+02  0.336176D+02  0.792462D+01
      5  -0.591772D+01  0.262906D+01  0.502434D+01  0.544981D+01  0.473792D+01
      6   0.544376D+01 -0.208398D+01  0.999786D+01  0.151763D+02  0.606843D+01
               301           302           303           304           305 
      1  -0.118951D+02 -0.449199D+02 -0.813955D+01 -0.132577D+01 -0.480895D+01
      2   0.252941D+02  0.850907D+02  0.134695D+02  0.203005D+01  0.467193D+01
      3  -0.133990D+02 -0.401708D+02 -0.532998D+01 -0.704281D+00  0.137016D+00
      4   0.207309D+02  0.385119D+02  0.659872D+01  0.402054D+01  0.486775D+01
      5   0.325758D+01  0.572591D+01  0.227641D+01  0.432364D+01  0.373534D+01
      6   0.819335D+01  0.253340D+02  0.120854D+02  0.418556D+01  0.166211D+02
               306           307           308           309           310 
      1  -0.717478D+01 -0.140100D+01  0.713499D+01  0.472611D+01  0.260584D+01
      2   0.975169D+01  0.365043D+01 -0.800904D+01 -0.328117D+01 -0.344182D+01
      3  -0.257690D+01 -0.224943D+01  0.874053D+00 -0.144494D+01  0.835986D+00
      4   0.550380D+01 -0.154051D+02  0.115934D+02  0.964396D+01  0.716395D+01
      5   0.284302D+01 -0.784409D+01  0.489736D+01  0.594456D+01  0.185819D+01
      6   0.659134D+01  0.142390D+02 -0.106358D+02 -0.155640D+02 -0.509272D+01
               311           312           313           314           315 
      1  -0.838994D+01 -0.623774D+01  0.474771D+01 -0.109298D+02 -0.105077D+02
      2   0.123341D+02  0.855710D+01 -0.190581D+01  0.110972D+02  0.323093D+01
      3  -0.394411D+01 -0.231937D+01 -0.284190D+01 -0.167335D+00  0.727681D+01
      4  -0.504863D+01 -0.318684D+01  0.948559D+01 -0.517787D+01 -0.892037D+01
      5  -0.248497D+01 -0.211441D+01  0.622056D+01 -0.332197D+01 -0.606960D+01
      6   0.122626D+02  0.962316D+01 -0.129569D+02  0.162027D+02  0.216678D+02
               316           317           318           319           320 
      1   0.586979D+00 -0.685999D+01  0.458921D+01 -0.347040D+01 -0.727821D+01
      2   0.168349D+01  0.728555D+01 -0.258503D+01  0.384105D+01  0.107790D+02
      3  -0.227047D+01 -0.425560D+00 -0.200418D+01 -0.370650D+00 -0.350081D+01
      4   0.161799D+02  0.111564D+02 -0.101923D+02  0.595008D+01  0.475092D+01
      5  -0.882362D+01 -0.506839D+01  0.682964D+01 -0.148571D+01 -0.258249D+01
      6  -0.143596D+02 -0.105257D+02  0.161246D+02 -0.475807D+01 -0.113444D+02
               321           322           323           324           325 
      1   0.578884D+01  0.491408D+01  0.101498D+02 -0.102887D+02 -0.579271D+01
      2  -0.803866D+01 -0.188800D+01 -0.997566D+01  0.252236D+01  0.176556D+02
      3   0.224981D+01 -0.302608D+01 -0.174186D+00  0.776633D+01 -0.118629D+02
      4  -0.305271D+01 -0.929973D+01 -0.538538D+01  0.924387D+01 -0.214221D+02
      5   0.205209D+01  0.651636D+01  0.373589D+01 -0.694973D+01  0.506031D+01
      6   0.898940D+01  0.128820D+02  0.157561D+02 -0.216303D+02 -0.100262D+02
               326           327           328           329           330 
      1   0.222013D+02 -0.468556D+01  0.118734D+02 -0.462908D+02  0.886202D+01
      2  -0.450458D+02  0.710041D+01 -0.237829D+02  0.852586D+02 -0.143322D+02
      3   0.228445D+02 -0.241485D+01  0.119095D+02 -0.389678D+02  0.547019D+01
      4   0.321305D+02 -0.806903D+01  0.190290D+02 -0.360609D+02  0.677253D+01
      5  -0.566604D+01  0.489322D+01 -0.341761D+01  0.579806D+01 -0.227388D+01
      6   0.159469D+02 -0.645954D+01  0.839198D+01 -0.269354D+02  0.127452D+02
               331           332           333           334           335 
      1  -0.166806D+01  0.594518D+01 -0.770221D+01 -0.639135D+01 -0.536375D+01
      2   0.242015D+01 -0.600213D+01  0.100101D+02 -0.799443D+01 -0.673700D+00
      3  -0.752088D+00  0.569513D-01 -0.230792D+01  0.143858D+02  0.603745D+01
      4  -0.403028D+01  0.533474D+01 -0.533598D+01  0.416983D+01  0.186341D+01
      5   0.422118D+01 -0.367123D+01  0.279700D+01 -0.129071D+02 -0.302587D+01
      6  -0.416665D+01  0.170960D+02 -0.740973D+01 -0.788634D+01 -0.665418D+01
               336           337           338           339           340 
      1   0.167245D+02 -0.229429D+01 -0.243637D+01 -0.229712D-01  0.915822D+01
      2   0.100240D+02  0.932241D+00 -0.151115D+00 -0.261088D+01  0.532049D+01
      3  -0.267486D+02  0.136205D+01  0.258749D+01  0.263385D+01 -0.144787D+02
      4  -0.309308D+01  0.189547D+01  0.201491D+01 -0.157228D+01 -0.179735D+01
      5   0.119700D+02 -0.220426D+01 -0.293391D+01  0.290573D+01  0.893809D+01
      6   0.118630D+02 -0.424641D+01 -0.355314D+01  0.434404D+01  0.494135D+01
               341           342           343           344           345 
      1   0.161987D+01 -0.147680D+02 -0.112114D+01  0.211150D+01  0.463524D+01
      2   0.406924D+00 -0.106936D+02 -0.143641D+00  0.701193D+00  0.277496D+01
      3  -0.202679D+01  0.254616D+02  0.126478D+01 -0.281270D+01 -0.741020D+01
      4  -0.183646D+01  0.263476D+01  0.264564D+01  0.186776D+01  0.223167D+01
      5   0.244482D+01 -0.118409D+02  0.152999D+01  0.321931D+01  0.232127D+01
      6   0.427617D+01 -0.625283D+01  0.369271D+01  0.755237D+00 -0.601788D+00
               346           347           348           349           350 
      1  -0.319285D+00 -0.158270D+02 -0.187753D+02  0.472865D+00 -0.122282D+02
      2  -0.315062D+01  0.101424D+01 -0.541265D+01 -0.560393D+00 -0.196995D+01
      3   0.346991D+01  0.148127D+02  0.241879D+02  0.875279D-01  0.141981D+02
      4   0.421477D+01  0.948178D+01  0.926602D+01  0.295683D+01  0.389443D+01
      5   0.742943D+01  0.106410D+02  0.151167D+02  0.333843D+01  0.700414D+01
      6   0.460533D+01  0.219221D+02  0.239487D+02  0.213746D+01  0.160094D+02
               351           352           353           354           355 
      1  -0.206008D+02  0.266526D+02 -0.124694D+02 -0.202836D+00 -0.154165D+02
      2  -0.596462D+01 -0.176808D-01 -0.829751D+01  0.156609D+01 -0.141196D+02
      3   0.265654D+02 -0.266349D+02  0.207669D+02 -0.136325D+01  0.295361D+02
      4   0.564738D+01 -0.363688D+02  0.351990D+02 -0.349645D+01  0.493452D+02
      5   0.950545D+01  0.976965D+00 -0.441415D+01  0.466355D+01 -0.183732D+00
      6   0.204731D+02 -0.201184D+01  0.678344D+00 -0.113793D+01 -0.194476D-01
               356           357           358           359           360 
      1   0.316874D+01  0.190209D+01  0.779452D+01 -0.303607D+01 -0.279562D+01
      2   0.344647D+02 -0.335891D+01  0.198419D+01 -0.877705D+01  0.402091D+01
      3  -0.376334D+02  0.145683D+01 -0.977871D+01  0.118131D+02 -0.122529D+01
      4  -0.655684D+02  0.261386D+01 -0.165915D+02  0.190515D+02 -0.911269D+01
      5   0.498715D+01 -0.701769D+01  0.589450D+01 -0.950659D+01  0.536234D+01
      6  -0.136875D+01  0.626151D+01 -0.354007D+01  0.874919D+01 -0.308458D+01
               361           362           363           364           365 
      1  -0.136760D+02 -0.723408D+01 -0.870989D+01 -0.546181D+01 -0.785817D+01
      2   0.838431D+01  0.342150D+01  0.460716D+01  0.457557D+00  0.100078D+02
      3   0.529173D+01  0.381259D+01  0.410273D+01  0.500425D+01 -0.214962D+01
      4   0.172957D+01  0.261854D+01 -0.967356D+00  0.841899D+01 -0.114357D+02
      5  -0.107157D+01 -0.267458D+01 -0.185140D+01 -0.130738D+00 -0.511976D+01
      6   0.348452D+01  0.409122D+01  0.536985D+01  0.165937D+01  0.829365D+01
               366           367           368           369           370 
      1  -0.815209D+01 -0.140768D+02 -0.141826D+02 -0.171826D+02  0.719693D+02
      2   0.582697D+01  0.869515D+01  0.693182D+01  0.281459D+01 -0.420091D+02
      3   0.232513D+01  0.538162D+01  0.725081D+01  0.143680D+02 -0.299602D+02
      4  -0.504257D+01  0.498479D+00 -0.541487D+01 -0.835084D+01 -0.368803D+02
      5  -0.486921D+01  0.397569D+01 -0.984271D+01 -0.169958D+02 -0.526279D+02
      6   0.885218D+01  0.149741D+01  0.131131D+02  0.182875D+02  0.121700D+02
               371           372           373           374           375 
      1  -0.210550D+02 -0.315741D+02 -0.273437D+02  0.130145D+02  0.143189D+02
      2   0.116474D+02  0.220618D+02  0.146302D+02 -0.534034D+01 -0.910182D+01
      3   0.940757D+01  0.951224D+01  0.127136D+02 -0.767415D+01 -0.521707D+01
      4   0.205088D+02  0.215662D+02  0.294342D+02 -0.244708D+02 -0.204963D+02
      5   0.204835D+02  0.374263D+02  0.275612D+02 -0.199795D+02 -0.198192D+02
      6  -0.654679D+01 -0.821109D+01 -0.106334D+02  0.918240D+01  0.103472D+02
               376           377           378           379           380 
      1  -0.275030D+02  0.100002D+02  0.216661D+02 -0.163125D+02  0.588779D+01
      2   0.223009D+02 -0.751775D+01 -0.209272D+02  0.662790D+01 -0.677172D-01
      3   0.520203D+01 -0.248241D+01 -0.738981D+00  0.968457D+01 -0.582007D+01
      4   0.208337D+02 -0.136659D+02 -0.185884D+02  0.548217D+01 -0.401778D+01
      5   0.435690D+02 -0.169970D+02 -0.410589D+02 -0.506514D+01  0.307811D+01
      6  -0.106651D+02  0.830704D+01  0.105165D+02 -0.278875D+01  0.989297D+00
               381           382           383           384           385 
      1  -0.879521D+01  0.136286D+02 -0.960046D+01  0.112585D+02 -0.110018D+02
      2   0.177970D+01 -0.640092D+01  0.241736D+01 -0.477232D+00  0.495834D+01
      3   0.701551D+01 -0.722768D+01  0.718310D+01 -0.107813D+02  0.604342D+01
      4   0.411258D+01 -0.198607D+01  0.151075D+02 -0.109837D+02  0.354531D+01
      5  -0.527066D+00  0.303046D+01 -0.965317D+01  0.152083D+02  0.612637D+01
      6  -0.100140D+01  0.121531D+01 -0.747363D+01  0.616654D+01 -0.190284D+01
               386           387           388           389           390 
      1   0.884753D+01 -0.949347D+01  0.123282D+03  0.397296D+02 -0.136390D+02
      2   0.270611D+00 -0.716793D+01 -0.585029D+02 -0.170771D+02  0.679226D+01
      3  -0.911814D+01  0.166614D+02 -0.647792D+02 -0.226525D+02  0.684678D+01
      4  -0.922641D+01  0.877501D+01  0.485172D+02  0.276250D+02 -0.823757D+01
      5   0.873117D+01 -0.244693D+02 -0.156015D+02 -0.752657D+01  0.129507D+02
      6   0.637878D+01 -0.539250D+01 -0.478663D+01 -0.165151D+01  0.170910D+01
               391           392           393           394           395 
      1   0.615221D+02  0.333753D+02 -0.101094D+02 -0.314873D+02 -0.136767D+02
      2  -0.257590D+02 -0.116049D+02  0.452551D+01  0.154438D+02  0.654618D+01
      3  -0.357631D+02 -0.217704D+02  0.558389D+01  0.160435D+02  0.713053D+01
      4   0.457029D+02  0.326565D+02 -0.443560D+01 -0.170315D+02 -0.742616D+01
      5  -0.119843D+02 -0.404437D+01  0.629098D+01  0.230380D+02  0.676557D+01
      6  -0.299089D+01 -0.275223D+01  0.314748D+01  0.419128D+01  0.370021D+01
               396           397           398           399           400 
      1   0.164360D+02  0.488822D+02 -0.126736D+02  0.182044D+02 -0.318388D+02
      2  -0.900644D+01 -0.255691D+02  0.626624D+01 -0.107292D+02  0.154815D+02
      3  -0.742955D+01 -0.233131D+02  0.640736D+01 -0.747515D+01  0.163574D+02
      4   0.694834D+01 -0.169413D+02  0.148187D+02 -0.106427D+02  0.313424D+02
      5  -0.105073D+02  0.233338D+02 -0.109209D+02  0.152247D+02 -0.238587D+02
      6  -0.248251D+01 -0.487377D+01  0.253563D+01 -0.275886D+01  0.606764D+01
               401           402           403           404           405 
      1   0.208227D+02 -0.173185D+02  0.346225D+02 -0.145750D+02  0.183827D+02
      2  -0.855728D+01  0.902851D+01 -0.213663D+02  0.922892D+01 -0.145916D+02
      3  -0.122654D+02  0.828997D+01 -0.132562D+02  0.534608D+01 -0.379118D+01
      4  -0.298175D+02  0.170209D+02 -0.198483D+02  0.156036D+02 -0.174301D+02
      5   0.173125D+02 -0.221159D+02  0.303786D+02 -0.174168D+02  0.339638D+02
      6  -0.673958D+01  0.638373D+01 -0.585104D+01  0.589697D+01 -0.646894D+01
               406           407           408           409           410 
      1  -0.228991D+01  0.476830D+01 -0.448262D+01  0.152847D+02 -0.703727D+01
      2   0.327960D+01 -0.298389D+01  0.317972D+01 -0.338080D+01  0.219254D+02
      3  -0.989682D+00 -0.178440D+01  0.130290D+01 -0.119039D+02 -0.148881D+02
      4   0.407012D+01  0.355229D+01 -0.509419D+00  0.172183D+02  0.365246D+02
      5  -0.484766D+01  0.814953D+00  0.207556D+01  0.485566D+01 -0.361498D+01
      6  -0.296736D+01 -0.101768D+01  0.956573D+00  0.230821D+01  0.146196D+00
               411           412           413           414           415 
      1   0.539056D+01 -0.206002D+02  0.466023D+01 -0.148075D+01  0.244531D+02
      2  -0.634045D+01  0.821295D+01 -0.966320D+01  0.343570D+01 -0.171066D+02
      3   0.949895D+00  0.123872D+02  0.500297D+01 -0.195495D+01 -0.734647D+01
      4  -0.419432D+01 -0.192731D+01 -0.130612D+02  0.926688D+01  0.175452D+02
      5   0.779908D+01  0.372707D+01  0.974268D+01 -0.412966D+01  0.284104D+02
      6   0.512359D+01  0.165366D+01  0.408452D+01 -0.140878D+01  0.945147D+01
               416           417           418           419           420 
      1   0.689128D+01  0.134743D+02  0.687928D+01  0.292077D+01  0.314440D+01
      2  -0.388149D+01 -0.970983D+01 -0.219040D+01  0.343050D+00 -0.197806D+01
      3  -0.300979D+01 -0.376446D+01 -0.468888D+01 -0.326382D+01 -0.116634D+01
      4   0.136384D+02  0.153154D+02  0.200441D+02  0.222525D+02  0.174840D+02
      5   0.152632D+02  0.251776D+02  0.167418D+02  0.185482D+02  0.176910D+02
      6   0.605057D+01  0.765122D+01  0.977552D+01  0.113491D+02  0.131694D+02
               421           422           423 
      1   0.220989D+02  0.522520D+01  0.512085D+01
      2  -0.185511D+02 -0.674086D+01 -0.166471D+02
      3  -0.354776D+01  0.151566D+01  0.115262D+02
      4   0.256895D+02  0.212690D+02  0.292769D+02
      5   0.416706D+02  0.302852D+02  0.558350D+02
      6   0.165427D+02  0.169846D+02  0.227818D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.950659D-01      0.241634D+00      0.806003D+00
   y          0.197034D+01      0.500811D+01      0.167053D+02
   z         -0.755367D-01     -0.191995D+00     -0.640427D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319824D+03      0.473930D+02      0.527318D+02
   yx        -0.323463D+00     -0.479322D-01     -0.533318D-01
   yy         0.257041D+03      0.380896D+02      0.423804D+02
   zx        -0.375546D+01     -0.556502D+00     -0.619192D+00
   zy         0.433822D+00      0.642858D-01      0.715276D-01
   zz         0.238012D+03      0.352698D+02      0.392430D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.286612D+03      0.424716D+02      0.472560D+02
   aniso      0.782353D+02      0.115933D+02      0.128993D+02
   xx         0.337543D+03      0.500187D+02      0.556533D+02
   yx        -0.426099D+00     -0.631414D-01     -0.702543D-01
   yy         0.270473D+03      0.400799D+02      0.445949D+02
   zx        -0.274184D+01     -0.406298D+00     -0.452068D+00
   zy         0.386287D+00      0.572419D-01      0.636902D-01
   zz         0.251822D+03      0.373161D+02      0.415198D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          5.41920543          0.90835898          3.19530028
     6          3.74078579         -1.03669411          1.98366581
     6          4.38065971         -2.25963263         -0.31893783
     6          6.77308246         -1.73927931         -1.73944987
     6          8.17329933          0.57034417         -0.68809535
     6          8.12769727          0.63979571          2.20102261
     6          2.53265495         -4.11075818         -0.80319070
     6          0.78329738         -4.08801053          1.22683945
     6          1.53577898         -2.21097528          2.97414634
     6          0.23953907         -1.55915500          5.40792479
     6         -0.63500686          1.21208633          5.43950717
     6         -1.70791481          2.01801258          2.94033269
     6         -3.86739375          1.00430799          1.70474081
     6         -4.28339442          2.41491700         -0.54744591
     6         -2.32914466          4.20079718         -0.76613201
     6         -0.74125147          3.96209848          1.37690641
     6         -5.71378764         -0.92845470          2.66037504
     6         -7.68242985         -1.61134608          0.64633035
     6         -8.67358715          0.73488494         -0.72106909
     6         -6.56100973          2.06765096         -2.19150140
    40          0.03752060         -0.01533496         -0.99027286
    17          2.60891457          2.40357237         -3.93919295
    17         -2.47708491         -2.46733642         -3.96283989
     1         -0.85882950         -5.28297289          1.40166138
     1          2.44531199         -5.32058238         -2.43836654
     1          4.75064823          2.82445750          2.80245467
     1          5.37745528          0.68818837          5.24846278
     1          9.27839831          2.20481236          2.89657267
     1          8.95882441         -1.09948132          2.95302419
     1          7.28899046          2.28487760         -1.41830676
     1         10.11990659          0.55864854         -1.37047733
     1          7.97811404         -3.41424112         -1.56976824
     1          6.38760761         -1.48502172         -3.74834535
     1          1.50138726         -1.91381917          7.00687072
     1         -1.37392749         -2.81467591          5.65579642
     1          0.95949075          2.43837510          5.88571333
     1         -2.02854452          1.49482544          6.93964160
     1          0.91838644          5.08024463          1.76504671
     1         -2.06700660          5.50795506         -2.30469338
     1         -6.66836425         -0.14484888          4.32502885
     1         -4.75753308         -2.63640368          3.30904097
     1         -9.23827626         -2.63448697          1.53485247
     1         -6.82728082         -2.88156193         -0.73671584
     1        -10.19214772          0.21214545         -2.01535844
     1         -9.48764246          2.04131203          0.66281174
     1         -6.07448576          0.94739993         -3.85485407
     1         -7.19894619          3.90852960         -2.87222168

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.197408D+01      0.501761D+01      0.167370D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.197408D+01      0.501761D+01      0.167370D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.271626D+03      0.402508D+02      0.447851D+02
   aniso      0.744418D+02      0.110311D+02      0.122738D+02
   xx         0.319872D+03      0.474002D+02      0.527398D+02
   yx        -0.281400D+00     -0.416992D-01     -0.463966D-01
   yy         0.237897D+03      0.352526D+02      0.392238D+02
   zx         0.279180D+01      0.413702D+00      0.460305D+00
   zy        -0.111942D+01     -0.165881D+00     -0.184567D+00
   zz         0.257109D+03      0.380996D+02      0.423915D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.286612D+03      0.424716D+02      0.472560D+02
   aniso      0.782353D+02      0.115933D+02      0.128993D+02
   xx         0.337484D+03      0.500100D+02      0.556437D+02
   yx        -0.148289D+01     -0.219742D+00     -0.244496D+00
   yy         0.251812D+03      0.373147D+02      0.415182D+02
   zx         0.285770D+01      0.423468D+00      0.471172D+00
   zy        -0.110950D+01     -0.164411D+00     -0.182932D+00
   zz         0.270541D+03      0.400900D+02      0.446061D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-39\Freq\RM11\Gen\C20H24Cl2Zr1\PIERPA\09-Jul-2021\0\\#
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 0.0950659,1.9703432,-0.0755367\DipoleDeriv=0.0801527,0.0344571,0.04400
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 \@


 THE RED LIGHT IS ALWAYS LONGER THAN THE GREEN LIGHT.

                     -- PETER'S THEORY OF RELATIVITY
 Job cpu time:      11 days  0 hours 51 minutes 24.2 seconds.
 Elapsed time:       0 days 16 hours 34 minutes 24.0 seconds.
 File lengths (MBytes):  RWF=   1644 Int=      0 D2E=      0 Chk=     53 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 14:09:12 2021.
